| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| (+)-Nortrachelogenin |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
374.4 |
479756 |
NPC253481 |
| Cianidanol |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
290.27 |
9064 |
NPC219876 |
| Tanshindiol C |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
126072 |
NPC10051 |
| (3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione |
CC1(C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)C |
516.7 |
10649544 |
NPC34052 |
| isosalvianolic acid C |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=CC4=CC(=C(C=C4OC3=C(C=C2)O)O)O)O)O |
492.4 |
44566967 |
NPC301089 |
| Lithospermic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
6441498 |
NPC144557 |
| Glimepiride |
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C |
490.6 |
3476 |
NPC194857 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| Ambonin |
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)(CO)O |
548.5 |
20055730 |
NPC265376 |
| Orientin |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
448.4 |
5281675 |
NPC117418 |
| Isoferulic acid |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
194.18 |
736186 |
NPC164706 |
| Przewaquinone B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO |
292.3 |
622085 |
NPC85771 |
| 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O |
610.5 |
53399169 |
NPC218109 |
| NCGC00169714-02_C30H48O5_(2alpha,3alpha,5xi,9xi,18xi)-2,3,19-Trihydroxyurs-12-en-28-oic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
488.7 |
11156036 |
NPC318785 |
| beta-D-glucopyranose |
C(C1C(C(C(C(O1)O)O)O)O)O |
180.16 |
64689 |
NPC69445 |
| 1,2-Dihydrotanshinquinone |
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
278.3 |
105119 |
NPC117674 |
| 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
86821 |
NPC290613 |
| (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
9926694 |
NPC301691 |
| 10-epi-Lithospermic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
95359683 |
NPC47489 |
| Chlorogenic Acid |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
354.31 |
1794427 |
NPC302857 |
| Rosmarinic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
360.3 |
5281792 |
NPC61 |
| Isomelitric acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O |
538.5 |
21582559 |
NPC78372 |
| (3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
446.4 |
44258403 |
NPC277467 |
| 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
496348 |
NPC238861 |
| Rosmarinic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
360.3 |
5281792 |
NPC61 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| Salvianolic acid C |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O |
492.4 |
13991590 |
NPC37333 |
| 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
624.8 |
45358120 |
NPC220089 |
| (4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione |
CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C |
353.4 |
12315046 |
NPC235625 |
| Arachidic Acid |
CCCCCCCCCCCCCCCCCCCC(=O)O |
312.5 |
10467 |
NPC149184 |
| Salvianolic acid B |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
6451084 |
NPC87517 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| 2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(C2C(OC3=CC(=CC(=C23)C=CC(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
720.6 |
56677421 |
NPC97678 |
| (3S,10R,13R,17R)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
5321342 |
NPC323434 |
| (6S)-6-hydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
296.3 |
56967683 |
NPC270476 |
| Methyl rosmarinate |
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
374.3 |
6479915 |
NPC168799 |
| (+)-Nortrachelogenin |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
374.4 |
479756 |
NPC253481 |
| Linolenic Acid |
CCC=CCC=CCC=CCCCCCCCC(=O)O |
278.4 |
5280934 |
NPC294548 |
| Abietatriene |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C |
270.5 |
6432211 |
NPC249018 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC174611 |
| (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
456.7 |
45358157 |
NPC264711 |
| 1,2-Dihydrotanshinquinone |
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
278.3 |
105119 |
NPC117674 |
| Danshenxinkun D |
CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
336.4 |
127172 |
NPC303494 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Salvigenin |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
328.3 |
161271 |
NPC145379 |
| Lithospermic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
6441498 |
NPC144557 |
| 2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(C2C(OC3=CC(=CC(=C23)C=CC(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
720.6 |
56677421 |
NPC97678 |
| (1R,8S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O |
330.4 |
6324890 |
NPC302711 |
| (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
193.18 |
54691413 |
NPC70741 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
9913656 |
NPC196512 |
| (3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
446.4 |
44258403 |
NPC277467 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| (1R,2S,4S,5'R,6R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
416.6 |
54740428 |
NPC150324 |
| (3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
636741 |
NPC249045 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Astragalin |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
448.4 |
5282102 |
NPC133671 |
| Dehydromiltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
280.4 |
3082765 |
NPC90172 |
| Isoschaftoside |
C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O |
564.5 |
3084995 |
NPC109594 |
| Salvilenone |
CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C |
292.4 |
389885 |
NPC232958 |
| Chryseriol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
300.26 |
5280666 |
NPC183950 |
| (-)-beta-Sitosterol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
6432744 |
NPC29 |
| Formononetin |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O |
268.26 |
5280378 |
NPC209560 |
| 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O |
610.5 |
53399169 |
NPC218109 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione |
C1=C(N=C2C(=N1)NC(=O)NC2=O)CO |
194.15 |
6325373 |
NPC202244 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| Beta-Amyrin |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
426.7 |
73145 |
NPC290598 |
| Danshenol C |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
336.4 |
11688609 |
NPC226429 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| 3,4-Dihydroxybenzoic acid |
C1=CC(=C(C=C1C(=O)O)O)O |
154.12 |
72 |
NPC156654 |
| 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O |
492.4 |
5321087 |
NPC233023 |
| DL-alpha-Tocopherol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
430.7 |
2116 |
NPC126759 |
| Isoscoparin |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O |
462.4 |
442611 |
NPC111249 |
| (3S,8R,9S,10S,13R,14S,17R)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C |
416.7 |
68262340 |
NPC329148 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Orobol |
C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O |
286.24 |
5281801 |
NPC38065 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Lupeol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
426.7 |
259846 |
NPC192638 |
| Tanshinlactone |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C |
264.27 |
5321617 |
NPC171082 |
| Sugiol |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
300.4 |
94162 |
NPC176130 |
| Lutein 5,6-epoxide |
CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O |
584.9 |
5281244 |
NPC96403 |
| Abieta-9(11),8(14),12-trien-12-ol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O |
286.5 |
521330 |
NPC309036 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC174611 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Isoferulic acid |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
194.18 |
736186 |
NPC164706 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| (R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
11629084 |
NPC186100 |
| Methyl rosmarinate |
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
374.3 |
6479915 |
NPC168799 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Succinic Acid |
OC(=O)CCC(=O)O |
118.088 |
1110 |
NPC236709 |
| 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
624.8 |
45358120 |
NPC220089 |
| 2-Dodecyl-3-methylbutanedioic acid |
CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O |
300.4 |
99891 |
NPC72722 |
| Danshenol C |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
336.4 |
11688609 |
NPC226429 |
| Sitogluside |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
576.8 |
5742590 |
NPC243728 |
| (1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione |
CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
298.4 |
25181389 |
NPC163649 |
| Tanshindiol C |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
126072 |
NPC10051 |
| Dehydromiltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
280.4 |
3082765 |
NPC90172 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Dehydrotanshinone II A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
292.3 |
128994 |
NPC307672 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Ferulic acid |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
194.18 |
445858 |
NPC70744 |
| cis-Chlorogenic acid |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
354.31 |
1794425 |
NPC167976 |
| Beta-Sitosterol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
222284 |
NPC230301 |
| 2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(C2C(OC3=CC(=CC(=C23)C=CC(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
720.6 |
56677421 |
NPC97678 |
| Danshenol C |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
336.4 |
11688609 |
NPC226429 |
| Tanshinlactone |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C |
264.27 |
5321617 |
NPC171082 |
| (1S,2R,4aS,6aS,6bR,10S,11R,12aR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O |
472.7 |
11655818 |
NPC327117 |
| 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
496348 |
NPC238861 |
| CID 6123454 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
6123454 |
NPC99244 |
| (S)-rosmarinic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
360.3 |
639655 |
NPC18074 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| CID 5281302 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
5281302 |
NPC72695 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| 2-((2S,3S)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-enyl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzo[b]furan-3-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
6449855 |
NPC189197 |
| 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O |
610.5 |
53399169 |
NPC218109 |
| Ursolic Acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
456.7 |
64945 |
NPC51700 |
| (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
456.7 |
45483617 |
NPC288537 |
| Rosmarinate |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
360.3 |
5315615 |
NPC25581 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| Danshensu |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
11600642 |
NPC117193 |
| Przewaquinone A |
CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C |
310.3 |
619402 |
NPC221992 |
| (3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O |
302.5 |
11392484 |
NPC102158 |
| [(1S,7S)-6-acetyloxy-4-(3-methylbutanoyloxymethyl)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 4-methylpentanoate |
CC(C)CCC(=O)OC1C2C(CC(C23CO3)OC(=O)C)C(=CO1)COC(=O)CC(C)C |
438.5 |
5316745 |
NPC181723 |
| Salvianolic acid B |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
6451084 |
NPC87517 |
| Tanshinlactone |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC4=C3OC=C4C |
264.27 |
5321617 |
NPC171082 |
| (2S,3R,4S,5S,6R)-2-[[(3R,8S,9S,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@]3(CC[C@H](C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C |
576.8 |
163042752 |
NPC176521 |
| Neotigogenin |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
416.6 |
12304433 |
NPC257296 |
| Tritriacontane |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
464.9 |
12411 |
NPC238041 |
| Lupeol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
426.7 |
259846 |
NPC192638 |
| (1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione |
CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
298.4 |
25181389 |
NPC163649 |
| (1R,2S,4S,5'R,6R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
416.6 |
54740428 |
NPC150324 |
| Dehydrotanshinone II A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
292.3 |
128994 |
NPC307672 |
| cis-Caffeic acid |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
180.16 |
1549111 |
NPC1075 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Dihydrotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
5316743 |
NPC289432 |
| 3-Epioleanolic acid |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
456.7 |
11869658 |
NPC130577 |
| Luteolin |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
286.24 |
5280445 |
NPC279121 |
| Betulinic Acid |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
456.7 |
64971 |
NPC264317 |
| Aromadendrin |
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
288.25 |
122850 |
NPC62290 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Baicalin |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
446.4 |
64982 |
NPC237435 |
| (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O |
472.7 |
15917996 |
NPC255463 |
| Isoferulic acid |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
194.18 |
736186 |
NPC164706 |
| 1,2-Dihydrotanshinquinone |
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
278.3 |
105119 |
NPC117674 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC174611 |
| Danshenol A |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
336.4 |
3083514 |
NPC309056 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Zidovudine |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] |
267.24 |
35370 |
NPC478793 |
| isosalvianolic acid C |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=CC4=CC(=C(C=C4OC3=C(C=C2)O)O)O)O)O |
492.4 |
44566967 |
NPC301089 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Rosmarinic Acid Methyl Ester |
COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
374.3 |
3012090 |
NPC223629 |
| Sucrose |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
342.3 |
5988 |
NPC130683 |
| Salvianolic acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
5281793 |
NPC38473 |
| Abieta-9(11),8(14),12-trien-12-ol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O |
286.5 |
521330 |
NPC309036 |
| 2-[[4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-hydroxymethoxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(C2C(OC3=CC(=CC(=C23)C=CC(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
720.6 |
56677421 |
NPC97678 |
| (R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
11629084 |
NPC186100 |
| 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O |
610.5 |
53399169 |
NPC218109 |
| Lithospermic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
6441498 |
NPC144557 |
| (2R,3R,4R,5S,6R)-2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
576.8 |
16058090 |
NPC323787 |
| 3,4-Dihydroxybenzoic acid |
C1=CC(=C(C=C1C(=O)O)O)O |
154.12 |
72 |
NPC156654 |
| Stigmastenone |
CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C(C)C |
412.7 |
5356634 |
NPC309318 |
| Dehydromiltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
280.4 |
3082765 |
NPC90172 |
| CID 25084349 |
CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C |
391.5 |
25084349 |
NPC179297 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
193.18 |
54691413 |
NPC70741 |
| 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
496348 |
NPC238861 |
| (3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
636741 |
NPC249045 |
| Methyl oleate |
CCCCCCCCC=CCCCCCCCC(=O)OC |
296.5 |
5364509 |
NPC309606 |
| Dehydrosoyasaponin I |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
941.1 |
656760 |
NPC120116 |
| Isoferulic acid |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
194.18 |
736186 |
NPC164706 |
| Miltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
282.4 |
160142 |
NPC239185 |
| Danshenxinkun D |
CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
336.4 |
127172 |
NPC303494 |
| Tanshindiol C |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
126072 |
NPC10051 |
| (1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
456.7 |
40469805 |
NPC195019 |
| Rosmarinic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
360.3 |
5281792 |
NPC61 |
| Przewaquinone B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO |
292.3 |
622085 |
NPC85771 |
| Friedelin |
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
426.7 |
91472 |
NPC307063 |
| Danshenxinkun D |
CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
336.4 |
127172 |
NPC303494 |
| Przewaquinone A |
CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CO)C |
310.3 |
619402 |
NPC221992 |
| 3-(3,4-Dihydroxyphenyl)prop-2-enoate |
C1=CC(=C(C=C1C=CC(=O)O)O)[O-] |
179.15 |
54710367 |
NPC1788 |
| Abieta-9(11),8(14),12-trien-12-ol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O |
286.5 |
521330 |
NPC309036 |
| 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
496348 |
NPC238861 |
| Danshensu |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
11600642 |
NPC117193 |
| Oleanolic Acid |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
456.7 |
10494 |
NPC142415 |
| CID 25084349 |
CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C |
391.5 |
25084349 |
NPC179297 |
| Dehydrotanshinone II A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
292.3 |
128994 |
NPC307672 |
| Dihydrotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
5316743 |
NPC289432 |
| Caffeic Acid |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
180.16 |
689043 |
NPC294902 |
| (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
456.7 |
45358157 |
NPC264711 |
| Methuyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
624381 |
NPC290249 |
| Glucoclionasterol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
576.8 |
12309067 |
NPC22140 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Vanillic Acid |
COC1=C(C=CC(=C1)C(=O)O)O |
168.15 |
8468 |
NPC111888 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C |
576.8 |
52940117 |
NPC142753 |
| Danshenxinkun D |
CC1COC2=C(C1(C)CO)C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
336.4 |
127172 |
NPC303494 |
| Tanshindiol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
5321620 |
NPC299094 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Quercetin |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
302.23 |
5280343 |
NPC20791 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Abieta-9(11),8(14),12-trien-12-ol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O |
286.5 |
521330 |
NPC309036 |
| Genistein |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
270.24 |
5280961 |
NPC39426 |
| CID 6123454 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
6123454 |
NPC99244 |
| Cryptoxanthin |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C |
552.9 |
5281235 |
NPC164487 |
| Alpha-Tocopherol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
430.7 |
14985 |
NPC242580 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C |
576.8 |
52940117 |
NPC142753 |
| Genistin |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
432.4 |
5281377 |
NPC313163 |
| 5-Hydroxy-2',3',7,8-tetramethoxyflavone |
COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
358.3 |
5319878 |
NPC94874 |
| Danshensu |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
11600642 |
NPC117193 |
| Isovitexin |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O |
432.4 |
162350 |
NPC289774 |
| Isoquercetin |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
464.4 |
5280804 |
NPC179950 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
9913656 |
NPC196512 |
| Neotigogenin |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
416.6 |
12304433 |
NPC257296 |
| Salvilenone |
CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C |
292.4 |
389885 |
NPC232958 |
| 1,2-Dihydrotanshinquinone |
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C |
278.3 |
105119 |
NPC117674 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate |
C(=C(N)[O-])C=C(N)[O-] |
114.1 |
53338995 |
NPC51843 |
| cis-Caffeic acid |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
180.16 |
1549111 |
NPC1075 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Protocatechuic acid 3-glucoside |
C1=CC(=C(C=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O |
316.26 |
11972438 |
NPC7753 |
| Miltipolone |
CC1=C(C(=O)C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O |
300.4 |
10086184 |
NPC210216 |
| Danshensu |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
11600642 |
NPC117193 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| Protocatechualdehyde |
C1=CC(=C(C=C1C=O)O)O |
138.12 |
8768 |
NPC278102 |
| (1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione |
CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
298.4 |
25181389 |
NPC163649 |
| Methuyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
624381 |
NPC290249 |
| Przewalskin |
CC1=CC2=C(C=C1O)C34CCCC(C3CC2OC4)(C)C |
272.4 |
14139389 |
NPC188523 |
| Dihydrotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
5316743 |
NPC289432 |
| (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
9926694 |
NPC301691 |
| 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C=C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)O)O |
492.4 |
5321087 |
NPC233023 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| Salvigenin |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
328.3 |
161271 |
NPC145379 |
| Przewaquinone B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4CO |
292.3 |
622085 |
NPC85771 |
| Urushiol III |
CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O |
316.5 |
5281862 |
NPC37859 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
9913656 |
NPC196512 |
| Tanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
294.3 |
164676 |
NPC281398 |
| Dihydrotanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
278.3 |
11425923 |
NPC988 |
| Kaempferol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
286.24 |
5280863 |
NPC116775 |
| (1R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11(3aH,11aH)-dione |
CC1COC2C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
298.4 |
25181389 |
NPC163649 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
9913656 |
NPC196512 |
| Soyasaponin I |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
943.1 |
122097 |
NPC236657 |
| Cryptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
296.4 |
160254 |
NPC77000 |
| Tanshindiol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
5321620 |
NPC299094 |
| Linoleic Acid |
CCCCCC=CCC=CCCCCCCCC(=O)O |
280.4 |
5280450 |
NPC85813 |
| 1,1,4abeta-Trimethyl-6-hydroxy-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-one |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
300.4 |
5321549 |
NPC265784 |
| Cryptoxanthin |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C |
552.9 |
5281235 |
NPC164487 |
| 2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
290.27 |
1203 |
NPC61477 |
| Isoorientin |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
448.4 |
114776 |
NPC53545 |
| (-)-Catechin |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
290.27 |
73160 |
NPC15658 |
| Tanshindiol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
5321620 |
NPC299094 |
| Tanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C |
276.3 |
114917 |
NPC93241 |
| (6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
456.7 |
89900037 |
NPC322523 |
| (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
9926694 |
NPC301691 |
| (4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one |
CC1CCCC2=CC(=O)C(=C(C)C)CC12C |
218.33 |
10353347 |
NPC296929 |
| Stearic Acid |
CCCCCCCCCCCCCCCCCC(=O)O |
284.5 |
5281 |
NPC209970 |
| Oleic Acid |
CCCCCCCCC=CCCCCCCCC(=O)O |
282.5 |
445639 |
NPC261831 |
| Caffeic Acid |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
180.16 |
689043 |
NPC294902 |
| 4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene |
COC1CC=C2CCN3C2(C1)C4C=C(C(=CC4CCC3)OC)OC |
331.4 |
5319776 |
NPC175662 |
| Fluoxetine |
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F |
309.33 |
3386 |
NPC328267 |
| Phenylmethylsulfonyl fluoride |
C1=CC=C(C=C1)CS(=O)(=O)F |
174.19 |
4784 |
NPC181786 |
| Acenaphthenequinone |
C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2 |
182.17 |
6724 |
NPC461214 |
| 9,10-Phenanthrenequinone |
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O |
208.21 |
6763 |
NPC417745 |
| Benzil |
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 |
210.23 |
8651 |
NPC418074 |
| Benzil |
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 |
210.23 |
8651 |
NPC418074 |
| delta-Valerolactone |
C1CCOC(=O)C1 |
100.12 |
10953 |
NPC99700 |
| 1-Phenylisatin |
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O |
223.23 |
12884 |
NPC485342 |
| Efavirenz |
C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
315.67 |
64139 |
NPC168951 |
| Grape sugar |
C(C1C(C(C(C(O1)O)O)O)O)O |
180.16 |
79025 |
NPC92246 |
| Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl- |
CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C |
278.3 |
89406 |
NPC298716 |
| 3,4-Phenanthrenedione |
C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C=C3 |
208.21 |
97313 |
NPC5968 |
| Methylenetanshinquinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
278.3 |
105118 |
NPC161206 |
| Methylenetanshinquinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
278.3 |
105118 |
NPC161206 |
| Salvianic acid B |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
119177 |
NPC167932 |
| Tanshinaldehyde |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
310.3 |
124268 |
NPC87640 |
| Tanshinaldehyde |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
310.3 |
124268 |
NPC87640 |
| Tanshinaldehyde |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
310.3 |
124268 |
NPC87640 |
| Trijuganone B |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
280.3 |
124416 |
NPC57970 |
| Trijuganone B |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
280.3 |
124416 |
NPC57970 |
| Tanshinol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
296.3 |
126071 |
NPC257862 |
| Tanshinol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
296.3 |
126071 |
NPC257862 |
| Tanshinol B |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
296.3 |
126071 |
NPC257862 |
| Salvinone |
CC(=O)C1=C(C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
268.3 |
130233 |
NPC115435 |
| Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-1-methyl-6-methylene- |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4=C)O |
294.3 |
134165 |
NPC316829 |
| 2-Isopropyl-8-methylphenanthrene-3,4-dione |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C |
264.3 |
135872 |
NPC205823 |
| 2-Isopropyl-8-methylphenanthrene-3,4-dione |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C |
264.3 |
135872 |
NPC205823 |
| 3,9-Dihydroxypterocarpan |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O |
256.25 |
162933 |
NPC262573 |
| Trijuganone C |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
340.4 |
164381 |
NPC108266 |
| Mandarone A |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCC(=O)C3(C)C)C)O |
314.4 |
182295 |
NPC101471 |
| Isotanshinone IIB |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO |
310.3 |
184102 |
NPC88958 |
| Isotanshinone IIB |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO |
310.3 |
184102 |
NPC88958 |
| Isotanshinone IIB |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO |
310.3 |
184102 |
NPC88958 |
| 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
184103 |
NPC184460 |
| 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
184103 |
NPC184460 |
| Tetradecane-7,8-dione |
CCCCCCC(=O)C(=O)CCCCCC |
226.35 |
237515 |
NPC485344 |
| 6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
300.4 |
275529 |
NPC3071 |
| 1-(4-Chlorobenzyl)-1H-indole-2,3-dione |
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Cl |
271.7 |
277990 |
NPC485343 |
| Tanshinone II-b |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
318797 |
NPC145830 |
| Tanshinone II-b |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
318797 |
NPC145830 |
| Tanshinone II-b |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
310.3 |
318797 |
NPC145830 |
| Dehydrotremetone |
CC(=C)C1=CC2=C(O1)C=CC(=C2)C(=O)C |
200.23 |
324281 |
NPC78655 |
| Neocryptotanshinone |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
389888 |
NPC252747 |
| 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
439435 |
NPC63126 |
| 3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
198.17 |
439435 |
NPC63126 |
| Isotanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C |
276.3 |
623940 |
NPC51429 |
| Isotanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C |
276.3 |
623940 |
NPC51429 |
| Isotanshinone I |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C |
276.3 |
623940 |
NPC51429 |
| Isotanshinone IIA |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
294.3 |
626354 |
NPC108857 |
| Isotanshinone IIA |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
294.3 |
626354 |
NPC108857 |
| Isotanshinone IIA |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
294.3 |
626354 |
NPC108857 |
| Isotanshinone IIA |
CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
294.3 |
626354 |
NPC108857 |
| Isocryptotanshinone |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
296.4 |
626608 |
NPC103688 |
| Isocryptotanshinone |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
296.4 |
626608 |
NPC103688 |
| Isocryptotanshinone |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
296.4 |
626608 |
NPC103688 |
| Isocryptotanshinone |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
296.4 |
626608 |
NPC103688 |
| Danshenol B |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O |
354.4 |
3083515 |
NPC212207 |
| Danshenol B |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O |
354.4 |
3083515 |
NPC212207 |
| Danshenol B |
CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O |
354.4 |
3083515 |
NPC212207 |
| (+)-Lithospermic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
538.5 |
4482010 |
NPC71637 |
| 9-Hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.01,5.04,8.011,15]heptadeca-13,15-diene-6,12,17-trione |
CC1=CC(=O)C2(C1=CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C |
330.3 |
4482273 |
NPC259745 |
| (3S,6aR,6aS,8aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
426.7 |
5270611 |
NPC320799 |
| (3S,6aR,6aS,8aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
426.7 |
5270611 |
NPC320799 |
| 2'-Hydroxygenistein |
C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O |
286.24 |
5282074 |
NPC87545 |
| Clerosterol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C |
412.7 |
5283638 |
NPC285893 |
| 11-(Hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol |
CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)C |
458.7 |
5315112 |
NPC52088 |
| 4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
268.31 |
5316298 |
NPC327194 |
| Isosalvianolic acid B |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
5316299 |
NPC325794 |
| Daphneolone |
C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)O)O |
270.32 |
5316300 |
NPC249435 |
| Hydroxytanshinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(CCC4(C)C)O |
310.3 |
5318349 |
NPC189632 |
| 3-Hydroxytanshinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
310.3 |
5318350 |
NPC179170 |
| (1r,4Ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid |
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C |
302.5 |
5318456 |
NPC324647 |
| 3'-Methoxydaidzein |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
284.26 |
5319422 |
NPC139364 |
| 1-Hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydrophenanthrene-3,4,5-trione |
CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O)O |
312.4 |
5319835 |
NPC30997 |
| (1R)-5-hydroxy-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C4CCCC(C4=C(C=C32)O)(C)C |
312.4 |
5319836 |
NPC262202 |
| 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxycarbonyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxypropanoic acid |
COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O)C4=CC(=C(C=C4)O)O |
552.5 |
5319877 |
NPC218948 |
| 1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
270.32 |
5320066 |
NPC310942 |
| Danshenxinkun B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C |
280.3 |
5320113 |
NPC2529 |
| Danshenxinkun B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C |
280.3 |
5320113 |
NPC2529 |
| Danshenxinkun C |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C |
252.26 |
5320114 |
NPC78024 |
| Danshenxinkun C |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C |
252.26 |
5320114 |
NPC78024 |
| Danshenxinkun C |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C |
252.26 |
5320114 |
NPC78024 |
| 6,6-dihydroxy-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(O)O |
298.29 |
5320219 |
NPC94789 |
| 6,6-dihydroxy-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(O)O |
298.29 |
5320219 |
NPC94789 |
| (4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O |
302.5 |
5321088 |
NPC317136 |
| 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
308.3 |
5321618 |
NPC205930 |
| 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
308.3 |
5321618 |
NPC205930 |
| 6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O |
312.3 |
5321619 |
NPC327134 |
| (6R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
312.3 |
5321621 |
NPC326050 |
| Tanshinol A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO |
292.3 |
5321622 |
NPC36184 |
| Tanshinol A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO |
292.3 |
5321622 |
NPC36184 |
| Tanshinol A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)CO |
292.3 |
5321622 |
NPC36184 |
| Lupinalbin A |
C1=CC2=C(C=C1O)OC3=C2C(=O)C4=C(C=C(C=C4O3)O)O |
284.22 |
5324349 |
NPC13879 |
| Ambocin |
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O |
564.5 |
5491738 |
NPC6930 |
| Salvianolicacid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
6124301 |
NPC186795 |
| Salvianolicacid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
6124301 |
NPC186795 |
| Salvianolicacid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
494.4 |
6124301 |
NPC186795 |
| Lithospermate B |
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2] |
740.9 |
6438135 |
NPC236722 |
| Salviaflaside |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
522.5 |
6438919 |
NPC282542 |
| (2R)-2-[(E)-3-[(2R,3R)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
6441188 |
NPC44272 |
| 2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-1-benzofuran-3-carbaldehyde |
COC1=CC(=CC2=C1OC(=C2C=O)C3=CC(=C(C=C3)O)OC)CCCO |
356.4 |
6709746 |
NPC186392 |
| Magnesium lithospermate B |
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2] |
740.9 |
6918234 |
NPC216403 |
| Magnesium lithospermate B |
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2] |
740.9 |
6918234 |
NPC216403 |
| Magnesium lithospermate B |
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2] |
740.9 |
6918234 |
NPC216403 |
| (2S,3R,4S,5S,6R)-2-Ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol |
CCOC1C(C(C(C(O1)CO)O)O)O |
208.21 |
9815668 |
NPC124963 |
| Sophoradiol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)O)C)C |
442.7 |
9846221 |
NPC149543 |
| Sibiriquinone B |
CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2CCCC3(C)C |
282.4 |
9971020 |
NPC134882 |
| 1-Oxomiltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O |
296.4 |
9971798 |
NPC109514 |
| 1-Oxomiltirone |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3=O)(C)C)C(=O)C1=O |
296.4 |
9971798 |
NPC109514 |
| 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide |
C1=CC(=C(C=C1CC(C(=O)N)O)O)O |
197.19 |
10035593 |
NPC326274 |
| 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)- |
CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C |
280.4 |
10039317 |
NPC75724 |
| 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)- |
CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C |
280.4 |
10039317 |
NPC75724 |
| Nortanshinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O |
280.27 |
10062187 |
NPC158295 |
| Nortanshinone |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O |
280.27 |
10062187 |
NPC158295 |
| [(1S,2S,5S,8R,9R,10R)-2,9-diacetyloxy-1,5-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate |
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)O)C)OC(=O)C)OC(=O)C |
492.6 |
10097180 |
NPC259684 |
| Neo-tanshinlactone |
CC1=C2C=CC3=C(C2=CC=C1)OC(=O)C4=C3OC=C4C |
264.27 |
10264769 |
NPC24232 |
| (3aR,4S,6E,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one |
CC1=CCCC(=CC2C(C(C1)O)C(=C)C(=O)O2)CO |
264.32 |
10333019 |
NPC276305 |
| Oleoyl danshenxinkun A |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=CC=CC(=C3C=C2)C)C(=O)C1=O)O |
560.8 |
10415411 |
NPC30480 |
| 2-[(E)-3-[2-[(Z)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O |
718.6 |
10439847 |
NPC321321 |
| Melitric acid A |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O |
538.5 |
10459878 |
NPC255617 |
| (2R,3R)-2-[4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(C(C3=CC(=C(C=C3)O)O)O)C(=O)O)O)O)O |
556.5 |
10482829 |
NPC209241 |
| Oleoyl neocryptotanshinone |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
578.8 |
10483308 |
NPC33574 |
| (1R,2R,3S,4R)-6-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-3-(3,4-dihydroxyphenyl)cyclohex-5-ene-1,2,4-tricarboxylic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(C(C(C2C(=O)O)C(=O)O)C3=CC(=C(C=C3)O)O)C(=O)O)O)O |
572.5 |
10531154 |
NPC140182 |
| Ac-Nle-Asp(1)-His-Phe-Arg-Trp-Lys(1)-NH2 |
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C |
1024.2 |
10534061 |
NPC89146 |
| Ac-Nle-Asp(1)-His-Phe-Arg-Trp-Lys(1)-NH2 |
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C |
1024.2 |
10534061 |
NPC89146 |
| Phenyl-1,2-Heptanedione |
CCCCCC(=O)C(=O)C1=CC=CC=C1 |
204.26 |
10655805 |
NPC485347 |
| Hexadecane-8,9-dione |
CCCCCCCC(=O)C(=O)CCCCCCC |
254.41 |
10879668 |
NPC485345 |
| salvianolic acid F |
C1=CC(=C(C=C1C=CC2=C(C=CC(=C2O)O)C=CC(=O)O)O)O |
314.29 |
10903113 |
NPC278652 |
| Arucadiol |
CC(C)C1=C(C(=C2C(=C1)C=CC3=C2C(=O)CCC3(C)C)O)O |
298.4 |
11011966 |
NPC153088 |
| (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O |
312.3 |
11056055 |
NPC78965 |
| (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O |
312.3 |
11056055 |
NPC78965 |
| Salvianen |
CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C |
319.4 |
11186248 |
NPC230683 |
| Salvianen |
CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C |
319.4 |
11186248 |
NPC230683 |
| #N/A |
#N/A |
#N/A |
11323834 |
NPC71132 |
| #N/A |
#N/A |
#N/A |
11323834 |
NPC71132 |
| 5,9,17,17-Tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene |
CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C |
321.4 |
11347813 |
NPC326092 |
| 1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione |
C1=C(C=C(C=C1F)F)C(=O)C(=O)C2=CC(=CC(=C2)F)F |
282.19 |
11437501 |
NPC485341 |
| Neosalvianen |
CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C |
319.4 |
11472648 |
NPC185197 |
| Neosalvianen |
CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C |
319.4 |
11472648 |
NPC185197 |
| Salvianolic acid G |
C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O |
340.3 |
11530200 |
NPC317696 |
| [4-(1-Hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl] acetate |
CC1=C2C=CC(=C(C2=CC=C1)O)C(=O)CC(C)COC(=O)C |
300.3 |
11558483 |
NPC87832 |
| (3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)OC(=O)C)C)O |
358.5 |
11624647 |
NPC295701 |
| 2-{[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O |
418.3 |
11683160 |
NPC327537 |
| Jkxngdlzomuebl-uhfffaoysa- |
CC1COC(=O)C2=C1C(=O)C3=C(O2)C4=CC=CC(=C4C=C3)C |
294.3 |
11687935 |
NPC94437 |
| (4-Hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate |
CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C=CC3=C(C2=C1O)C(=O)CCC3(C)C)C(C)C |
536.8 |
11720792 |
NPC131853 |
| Salvianolic acid L |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O |
718.6 |
11765414 |
NPC267021 |
| Salvianolic acid L |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O |
718.6 |
11765414 |
NPC267021 |
| Ethyl beta-D-fructofuranoside |
CCOC1(C(C(C(O1)CO)O)O)CO |
208.21 |
11769694 |
NPC38042 |
| Phenyl-1,2-Hexanedione |
CCCCC(=O)C(=O)C1=CC=CC=C1 |
190.24 |
11805526 |
NPC485346 |
| (3S,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
426.7 |
12358388 |
NPC327897 |
| Salviol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O |
302.5 |
13966146 |
NPC180798 |
| CID 13991587 |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
13991587 |
NPC41494 |
| (2R)-2-[(E)-3-[3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
13991589 |
NPC114103 |
| Tanshinone IIA anhydride |
CC1=COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C |
310.3 |
14609844 |
NPC264196 |
| 1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C=O |
290.3 |
14609847 |
NPC75555 |
| 8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O |
266.3 |
14609851 |
NPC229734 |
| 8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(C)C1=CC2=C(C3=C(C=C2)C(=C)CCC3)C(=O)C1=O |
266.3 |
14609851 |
NPC229734 |
| Methyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
14610613 |
NPC144010 |
| Methyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
14610613 |
NPC144010 |
| Methyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
14610613 |
NPC144010 |
| Methyl tanshinonate |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
338.4 |
14610613 |
NPC144010 |
| 3alpha-Hydroxytanshinone IIA |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
310.3 |
14610644 |
NPC137542 |
| (4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one |
CC(C)C1=C(C=C2C(=C1)C(=O)C=C3C2(CCCC3(C)C)C)O |
298.4 |
14827280 |
NPC72667 |
| 8-Methyl-2-propan-2-yl-5,6-dihydrophenanthrene-3,4-dione |
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C(=C3)C(C)C |
266.3 |
14828180 |
NPC260233 |
| 1,3,8-Trihydroxy-9-methoxy-[1]benzofuro[2,3-b]chromen-11-one |
COC1=C(C=C2C(=C1)C3=C(O2)OC4=CC(=CC(=C4C3=O)O)O)O |
314.25 |
15126297 |
NPC184683 |
| (9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one |
CC1CC2=C(C3=C(C(=C2O1)O)C4(CCCC(C4=CC3=O)(C)C)C)O |
328.4 |
15478793 |
NPC146716 |
| (11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-6-one |
CC1=CC2=C(C3=C(C(=C2O1)O)C4(CC=CC(C4=CC3=O)(C)C)C)O |
324.4 |
15478794 |
NPC132585 |
| 12-Deoxytanshinquinone B |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C=C(C3=O)C(C)C |
264.3 |
15484930 |
NPC49994 |
| 22-Dehydroclerosterol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C |
410.7 |
15608667 |
NPC81455 |
| Tanshindiol A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O |
312.3 |
16730071 |
NPC187517 |
| Tanshindiol A |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(CO)O |
312.3 |
16730071 |
NPC187517 |
| [(1R,3aR,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate |
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C |
306.4 |
16745519 |
NPC70555 |
| (3S,4R,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C |
458.7 |
21119301 |
NPC21949 |
| methyl 2-(3,4-dihydroxyphenyl)-4-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate |
COC(=O)C1C(OC2=C(C=CC(=C12)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)OC)O)C4=CC(=C(C=C4)O)O |
566.5 |
21636278 |
NPC329220 |
| 5,7-Dihydroxy-3',4',5'-trimethoxyisoflavone |
COC1=CC(=CC(=C1OC)OC)C2=COC3=CC(=CC(=C3C2=O)O)O |
344.3 |
21676203 |
NPC78341 |
| 17-Hydroxycryptotanshinone |
CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OCC4CO)C |
312.4 |
23252570 |
NPC183626 |
| Sodium 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonate |
CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)[O-].[Na+] |
396.4 |
23669322 |
NPC23559 |
| Sodium 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonate |
CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)[O-].[Na+] |
396.4 |
23669322 |
NPC23559 |
| sodium (R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+] |
220.15 |
23693207 |
NPC56400 |
| Sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+] |
220.15 |
23711819 |
NPC102114 |
| (2R,3R)-6-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3=C(C=C2)OC(C(O3)C(=O)O)C4=CC(=C(C=C4)O)O)O)O |
538.5 |
24177556 |
NPC107949 |
| (E)-4-[5-(Hydroxymethyl)-2-furanyl]-3-butene-2-one |
CC(=O)C=CC1=CC=C(O1)CO |
166.17 |
24861973 |
NPC20840 |
| (2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O |
197.16 |
25202033 |
NPC263995 |
| Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate |
CC(C)OC(=O)C(CC1=CC(=C(C=C1)O)O)O |
240.25 |
44234503 |
NPC325128 |
| Dihydroisotanshinone II |
CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C |
278.3 |
44425164 |
NPC144547 |
| Dihydroisotanshinone II |
CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C |
278.3 |
44425164 |
NPC144547 |
| 1-hydroxy-2-[(2S)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
44425165 |
NPC283173 |
| Isotanshinone II |
CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O |
276.3 |
44425166 |
NPC27798 |
| Isotanshinone II |
CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O |
276.3 |
44425166 |
NPC27798 |
| (2R)-2-[(E)-3-[(3S)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
45358152 |
NPC311866 |
| (2R)-2-[(E)-3-[(3S)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
45358152 |
NPC311866 |
| (2S)-2-[(E)-3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
50914802 |
NPC123663 |
| Mimengoside B |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)CO)CCC7(C6C(C=C8C7(CCC9(C8CC(CC9)(C)C)CO)C)OC)C)C)C)O)CO)O)O)O |
1105.3 |
54586748 |
NPC241776 |
| Raltegravir |
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F |
444.4 |
54671008 |
NPC478794 |
| (2S)-2-[3-[(3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
71433917 |
NPC284237 |
| Dihydroisotanshine II |
CC1COC2=C1C(=O)C(=O)C3=C2C4=CC=CC(=C4C=C3)C |
278.3 |
75024890 |
NPC316790 |
| Salvianolic acid D |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O |
418.3 |
75412558 |
NPC190313 |
| 1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(=O)CCC4(C)C |
310.3 |
85086900 |
NPC215345 |
| 1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(=O)CCC4(C)C |
310.3 |
85086900 |
NPC215345 |
| 5-(Methoxymethyl)-1h-pyrrole-2-carbaldehyde |
COCC1=CC=C(N1)C=O |
139.15 |
86063753 |
NPC78408 |
| Isosalviamine B |
CC1=C2C=CC3=C(C2=CC=C1)C4=C(C5=C3OC=C5C)OC(=N4)C |
301.3 |
86226794 |
NPC60152 |
| Salvianolic acid E |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O |
718.6 |
86278266 |
NPC123112 |
| 4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid |
C1=CC(=C(C=C1C2C(C3=C(C=CC(=C3O2)O)C=CC(=O)O)C(=O)O)O)O |
358.3 |
89101593 |
NPC320846 |
| (2R)-2-[3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
718.6 |
92132738 |
NPC166641 |
| (3S)-3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC |
316.3 |
92143157 |
NPC247832 |
| (2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one |
C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
304.25 |
98049813 |
NPC6501 |
| 3-Hydroxytanshinone IIB |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)CO)O |
326.3 |
101493014 |
NPC87028 |
| 3-Hydroxycyptotanshinone |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
312.4 |
101493015 |
NPC184728 |
| (6S)-6-hydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
298.3 |
101493016 |
NPC226505 |
| 8-Methyl-3,4-dioxo-2-propan-2-ylphenanthrene-1-carboxylic acid |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3C(=O)O)C(C)C |
308.3 |
101493017 |
NPC84738 |
| methyl (6S)-1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carboxylate |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
340.4 |
101493018 |
NPC120737 |
| Monodydroxytanshinone I |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC(=C4C)O |
292.3 |
101493019 |
NPC110758 |
| Monodydroxytanshinone I |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC(=C4C)O |
292.3 |
101493019 |
NPC110758 |
| (6S)-6-hydroxy-1-(hydroxymethyl)-6-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OCC4CO)O |
314.3 |
101493020 |
NPC127584 |
| CID 101603194 |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
296.4 |
101603194 |
NPC76419 |
| (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
442.7 |
101690746 |
NPC202656 |
| Salvianan |
CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=C(O3)C |
321.4 |
102004707 |
NPC80894 |
| 15,16-Dihydrotanshindiol C |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
314.3 |
102004772 |
NPC55923 |
| 15,16-Dihydrotanshindiol B |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)O)O |
314.3 |
102004773 |
NPC163466 |
| Tetrahydro tanshinone I |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
280.3 |
102004882 |
NPC85724 |
| 2-[(Z)-3-[2-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C(=CC3=CC(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O |
718.6 |
102120844 |
NPC294154 |
| 1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione |
CC1COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C |
312.4 |
102189779 |
NPC486823 |
| 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
184103 |
NPC323440 |
| 3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropanoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)OC(CC2=CC(=C(C=C2)O)O)C(=O)O)O)O)O |
378.3 |
117838252 |
NPC325653 |
| 4,4,8-Trimethyl-2,3,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-1,7,11-trione |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4=O)(C)C |
310.3 |
117838257 |
NPC320590 |
| (3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=C(C=C(C=C3)O)O |
288.25 |
124300749 |
NPC125637 |
| N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide |
CC1C(OC(=O)C1NC(=O)C)C |
171.19 |
130923601 |
NPC92320 |
| Oleoyl neocryptotanshinone |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
578.8 |
10483308 |
NPC328107 |
| 5,15-Dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene-7,9-dione |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC(=O)C4=C3OC=C4C |
292.3 |
133561407 |
NPC486821 |
| Salvianan A |
CC1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=C(O3)C |
303.4 |
134816159 |
NPC485348 |
| Salvianan D |
CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)N=CO3 |
307.4 |
134816161 |
NPC485351 |
| Salvianan B |
CC1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=CO3 |
289.3 |
134816175 |
NPC485349 |
| (5R)-9-benzyl-5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene |
CC1COC2=C1C3=C(C4=C2C=CC5=C(C=CC=C54)C)N=C(O3)CC6=CC=CC=C6 |
379.4 |
134816223 |
NPC485350 |
| (2R)-2-[(E)-3-[(2S,3S)-3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoate |
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O |
716.6 |
140785629 |
NPC87516 |
| Oleoyl neocryptotanshinone |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
578.8 |
10483308 |
NPC328107 |
| (3S)-5,7-dihydroxy-3-(4-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
COC1=C(C=CC2=C1OCO2)C3COC4=CC(=CC(=C4C3=O)O)O |
330.29 |
163032934 |
NPC18695 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC318173 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC318173 |
| (5aR,10bR)-1,3,8,10b-tetrahydroxy-5aH-[1]benzofuro[2,3-b]chromen-11-one |
C1=CC2=C(C=C1O)OC3C2(C(=O)C4=C(C=C(C=C4O3)O)O)O |
302.23 |
162927181 |
NPC203313 |
| (3S)-3-(2,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)OC |
478.4 |
163012704 |
NPC152107 |
| (4aS,6aR,6aS,6bR,8aS,10R,11R,12aR,14bR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)O)C)C)C2C1)C)C(=O)O)C |
634.8 |
162849257 |
NPC50988 |
| Neocryptotanshinone |
CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
314.4 |
389888 |
NPC222968 |
| (4R,5S,6S)-6-hydroxy-4,5-dimethyl-2-oxo-1,4,5,6-tetrahydropyrrolo[1,2-d][1,4]oxazocine-9-carbaldehyde |
CC1C(OC(=O)CN2C(=CC=C2C1O)C=O)C |
237.25 |
163069460 |
NPC302981 |
| (3S)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
COC1=C(C(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)OC)OC |
508.5 |
162898061 |
NPC185750 |
| (1R)-1-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6,10,11-trione |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O |
282.29 |
147007780 |
NPC297409 |
| (5R)-5,15-dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11,13,15,17-hexaene-7,9-dione |
CC1COC2=C1C(=O)OC(=O)C3=C2C=CC4=C(C=CC=C43)C |
294.3 |
145993296 |
NPC486822 |
| (3S)-5,7-dihydroxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
COC1=C(C(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC)OC |
346.3 |
162899058 |
NPC130057 |
| Oleoyl danshenxinkun A |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=CC=CC(=C3C=C2)C)C(=O)C1=O)O |
560.8 |
10415411 |
NPC318067 |
| (3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
COC1=C(C=CC(=C1OC)O)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O |
494.4 |
162932433 |
NPC245919 |
| (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,5-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2C=CC3=CC(=C(C=C3)O)O)O)O)O)O |
494.4 |
45272145 |
NPC68562 |
| (5R)-5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),8,13(18),19-hexaene |
CC1COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C |
321.4 |
145958892 |
NPC485352 |
| Oleoyl danshenxinkun A |
CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=CC=CC(=C3C=C2)C)C(=O)C1=O)O |
560.8 |
10415411 |
NPC318067 |
| (3S)-5-hydroxy-3-(4-methoxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
COC1=C(C=CC2=C1OCO2)C3COC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O |
492.4 |
163089365 |
NPC297575 |
| 2-[3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O |
418.3 |
73060756 |
NPC115321 |
| (3S,4S,5R)-4,5-dimethyl-3-pyrrol-1-yloxolan-2-one |
CC1C(OC(=O)C1N2C=CC=C2)C |
179.22 |
162997410 |
NPC260060 |
| (3S)-5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one |
COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O |
302.28 |
162993233 |
NPC308379 |
| 2-[3-[2-(Carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)CC(=O)O)O)O |
418.3 |
73060756 |
NPC115321 |
| Danshenxinkun A |
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
296.3 |
149138 |
NPC318173 |