| L-Proline |
OC(=O)[C@@H]1CCCN1 |
115.132 |
145742 |
NPC11433 |
| Betaine |
C[N+](C)(C)CC(=O)[O-] |
117.15 |
247 |
NPC59650 |
| Choline |
C[N+](C)(C)CCO |
104.17 |
305 |
NPC136014 |
| Dehydroleucodine |
CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C |
244.28 |
73440 |
NPC302426 |
| Eupatorin |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O |
344.3 |
97214 |
NPC160951 |
| Stachydrine |
C[N+]1(CCCC1C(=O)[O-])C |
143.18 |
115244 |
NPC274499 |
| 14-Deoxylactucin |
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)C |
260.279 |
156302 |
NPC287387 |
| Betonicine |
C[N+]1(CC(CC1C(=O)[O-])O)C |
159.18 |
164642 |
NPC279525 |
| 6-Hydroxyluteolin 7-glucoside |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
464.4 |
185766 |
NPC58716 |
| 8alpha-Angeloyl-2alpha,4alpha,10beta-trihydroxy-6betaH,7alphaH-1(5)-guaien-12,6alpha-olide |
CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2O)(C)O)(C)O |
380.4 |
643640 |
NPC123928 |
| Piceatannol |
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O |
244.24 |
667639 |
NPC34864 |
| (Z)-resveratrol |
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
228.24 |
1548910 |
NPC248573 |
| (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid |
CC1=C2C=CC(=C2C=C(C=C1)C(C)C(=O)O)C |
228.29 |
3083593 |
NPC261947 |
| Matricarin |
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C |
304.34 |
3083923 |
NPC255580 |
| 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 |
| Luteolin 7-glucuronide |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O |
462.4 |
5280601 |
NPC20505 |
| Luteolin 7-O-glucoside |
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
448.4 |
5280637 |
NPC189142 |
| Apigetrin |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O |
432.4 |
5280704 |
NPC210003 |
| Rutin |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
610.5 |
5280805 |
NPC176740 |
| Diosmetin |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
300.26 |
5281612 |
NPC52005 |
| Santin |
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC |
344.3 |
5281695 |
NPC203891 |
| cassigarol E |
C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC(C(O2)C4=CC(=CC(=C4)O)O)C5=CC(=C(C=C5)O)O |
486.5 |
5315729 |
NPC262189 |
| Centaureidin |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O |
360.3 |
5315773 |
NPC9609 |
| Quercetagetin-6,7-3',4'-tetramethyl Ether |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)OC |
374.3 |
5316832 |
NPC66868 |
| 5-Hydroxy-3,6,7,4'-tetramethoxyflavone |
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
358.3 |
5318355 |
NPC110070 |
| Kaempferol-3-O-rutinoside |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O |
594.5 |
5318767 |
NPC181465 |
| Artemetin |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC |
388.4 |
5320351 |
NPC176300 |
| Pectolinarigenin |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O |
314.29 |
5320438 |
NPC156222 |
| Scirpusin B |
C1=CC(=C(C=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O |
486.5 |
5458999 |
NPC15659 |
| Sulforaphene |
CS(=O)C=CCCN=C=S |
175.3 |
6433206 |
NPC205586 |
| Austricin |
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O |
262.3 |
6713966 |
NPC165287 |
| Isorhoifolin |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O |
578.5 |
9851181 |
NPC44931 |
| Cassigarol G |
C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC4C(O2)C5=C(C6=CC(=C(C=C46)O)O)C(=CC(=C5)O)O |
484.5 |
10005549 |
NPC216339 |
| Hydroxyachillin |
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O |
262.3 |
10038339 |
NPC258104 |
| Tibeticanol |
C1=CC(=C(C=C1C=CC2=C(C(=CC(=C2)O)O)C3=CC(=C(C=C3C=CC4=CC(=CC(=C4)O)O)O)O)O)O |
486.5 |
11598276 |
NPC111742 |
| (3R,3aS,7R,10E,11aS)-3,10-Dimethyl-6-methylene-7-hydroxy-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-2-one |
CC1C2CCC(=C)C(CCC(=CC2OC1=O)C)O |
250.33 |
13821246 |
NPC109024 |
| Dihydrosantamarin |
CC1C2CCC3(C(CC=C(C3C2OC1=O)C)O)C |
250.33 |
13895713 |
NPC26937 |
| (3R,3As,5aR,6R,9aS,9bS)-6-hydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one |
CC1C2CCC3(C(CCC(=C)C3C2OC1=O)O)C |
250.33 |
13895720 |
NPC241579 |
| (3R)-3abeta,4,5,5a,6,7,8,9,9abeta,9balpha-Decahydro-3alpha,5aalpha,9-trimethyl-6alpha,9beta-dihydroxynaphtho[1,2-b]furan-2(3H)-one |
CC1C2CCC3(C(CCC(C3C2OC1=O)(C)O)O)C |
268.35 |
14110909 |
NPC299089 |
| (3S)-2-Oxo-3beta,6,9-trimethyl-2,3,3abeta,5,6,9balpha-hexahydro-4H-cyclohepta[2,1-b:3,4-c']difuran-4beta,6alpha-diol 4-acetate |
CC1C2C(CC(C3=COC(=C3C2OC1=O)C)(C)O)OC(=O)C |
308.33 |
15127111 |
NPC255497 |
| 2-Methyl-2-butenoic acid [(3aR)-2,3,3abeta,4,5,6,7,8,9,9balpha-decahydro-2,7-dioxo-6alpha,9beta-dihydroxy-3beta,6,9-trimethylazuleno[4,5-b]furan]-4beta-yl ester |
CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2=O)(C)O)(C)O |
378.4 |
15922700 |
NPC42149 |
| 2alpha-(3,4-Dihydroxyphenyl)-3beta-(3,5-dihydroxyphenyl)-4-(4-hydroxy-trans-styryl)-2,3-dihydrobenzofuran-6-ol |
C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O |
470.5 |
21633203 |
NPC163508 |
| 3,4',5-Trihydroxy-3'-methoxystilbene |
COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O |
258.269 |
53395093 |
NPC71715 |
| Costunolide derivative |
CC1C2CCC(=CCC(C(=CC2OC1=O)C)O)C |
250.33 |
54607887 |
NPC12529 |
| [(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] acetate |
CC1C2C(CC(=C3C(=O)C=C(C3(C2OC1=O)O)C)C)OC(=O)C |
320.3 |
76764466 |
NPC169232 |
| Angeloylartabsin |
CC=C(C)C(=O)OC1CC(C2=CCC(=C2C3C1C(C(=O)O3)C)C)(C)O |
346.4 |
101078309 |
NPC224242 |
| 8alpha-Angeloyl-4alpha,10beta-dihydroxy-2-oxo-6betaH,7alphaH,11betaH-1(5)-guaien-12,6alpha-olide |
CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(CC2=O)(C)O)(C)O |
378.4 |
101143220 |
NPC204204 |
| Tigloylartabsin |
CC=C(C)C(=O)OC1CC(C2=CCC(=C2C3C1C(C(=O)O3)C)C)(C)O |
346.4 |
101672241 |
NPC263251 |
| Angeloyloxaartabsin |
CC=C(C)C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O |
348.4 |
102008484 |
NPC20836 |
| Tigloyloxaartabsin |
CC=C(C)C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O |
348.4 |
102008485 |
NPC8463 |
| [(3R,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate |
CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)OC(=O)C |
304.34 |
102014217 |
NPC95460 |
| (3S)-3beta,6beta,9beta-Trimethyl-4beta-(angeloyloxy)-6,7alpha-dihydroxy-9-(methoxymethyl)-2,3,3abeta,5,6,7,9,9balpha-octahydro-4H-cyclohepta[2,1-b:3,4-c']difuran-2-one |
CC=C(C)C(=O)OC1CC(C2=C(C3C1C(C(=O)O3)C)C(OC2O)(C)COC)(C)O |
410.5 |
102321417 |
NPC187206 |
| Kompasinol A |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C=C5)O)O |
452.5 |
102505446 |
NPC113831 |
| (4R,6S)-4-hydroxy-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one |
CC1=CC(=O)[C@@H](C[C@H]1O)[C@H](C)CCC=C(C)C |
236.35 |
163018254 |
NPC176728 |
| (1R,4S,5S)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol |
CC1=C[C@H]([C@@H](C[C@H]1O)[C@H](C)CCC=C(C)C)O |
238.37 |
162948070 |
NPC21534 |
| (3R,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one |
C[C@@H]1[C@@H]2CC[C@]3([C@@H](CCC(=C3[C@H]2OC1=O)C)O)C |
250.33 |
14413701 |
NPC308289 |
| (1S,2S,4R,7E,11S,12R)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one |
C[C@@H]1[C@@H]2CC/C(=C/CC[C@@]3([C@H]([C@H]2OC1=O)O3)C)/C |
250.33 |
163077852 |
NPC182277 |
| (E,6R)-6-[(1R,5S)-5-hydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]-2-methylhept-2-enal |
CC1=CC(=O)[C@H](C[C@@H]1O)[C@H](C)CC/C=C(\C)/C=O |
250.33 |
163030474 |
NPC89944 |
| (1R,2S,3S,6R,7S,10R,11S)-1,6,10-trimethyl-4,14-dioxatetracyclo[9.2.1.02,10.03,7]tetradecan-5-one |
C[C@@H]1[C@@H]2CC[C@]3([C@@H]4CC[C@]([C@@H]3[C@H]2OC1=O)(O4)C)C |
250.33 |
162870577 |
NPC282116 |
| (4S,6R)-4-hydroxy-6-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one |
CC1=CC(=O)[C@H](C[C@@H]1O)[C@H](C)CC/C=C(\C)/CO |
252.35 |
162870578 |
NPC101692 |
| (4S,6S)-6-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4-hydroxy-3-methylcyclohex-2-en-1-one |
CC1=CC(=O)[C@@H](C[C@@H]1O)[C@H](C)C/C=C/C(C)(C)OO |
268.35 |
162884912 |
NPC16209 |
| (4S,6S)-6-[(2R,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-4-hydroxy-3-methylcyclohex-2-en-1-one |
CC1=CC(=O)[C@@H](C[C@@H]1O)[C@H](C)CC[C@H](C(=C)C)OO |
268.35 |
162878382 |
NPC212591 |
| [(3S,3aR,4S,9aS,9bR)-3,6-dimethyl-9-methylidene-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate |
C[C@H]1[C@@H]2[C@H](CC(=C3C=CC(=C)[C@@H]3[C@H]2OC1=O)C)OC(=O)C |
288.34 |
162979002 |
NPC45367 |
| [(6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate |
C/C/1=C\C[C@H](/C(=C/[C@@H]2C(=C(C(=O)O2)COC(=O)C)CC1)/C)O |
306.4 |
162951676 |
NPC196209 |
| [(3S,3aR,4S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate |
C[C@H]1[C@@H]2[C@H](CC(=C3C=C[C@]([C@@H]3[C@H]2OC1=O)(C)O)C)OC(=O)C |
306.4 |
154496986 |
NPC192978 |
| (3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one |
C[C@H]1[C@@H]2[C@H](C[C@](C3=CCC(=C3[C@H]2OC1=O)C)(C)O)OC(=O)C |
306.4 |
154496098 |
NPC183401 |
| [(3R,3aR,4S,6E,9R,10E,11aR)-9-hydroxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] acetate |
C[C@@H]1[C@@H]2[C@H](C/C(=C/C[C@H](/C(=C/[C@H]2OC1=O)/C)O)/C)OC(=O)C |
308.4 |
162851798 |
NPC249616 |
| [(3S,3aR,4S,9bS)-3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate |
C/C=C(/C)\C(=O)O[C@H]1CC(=C2C=CC(=C2[C@@H]3[C@@H]1[C@@H](C(=O)O3)C)C)C |
328.4 |
162978274 |
NPC220518 |
| [(3S,3aR,4S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate |
C/C=C(/C)\C(=O)O[C@H]1CC(=C2C=C[C@]([C@@H]2[C@@H]3[C@@H]1[C@@H](C(=O)O3)C)(C)O)C |
346.4 |
163019354 |
NPC38884 |
| [(3S,3aR,4S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate |
C/C=C(\C)/C(=O)O[C@H]1CC(=C2C=C[C@]([C@@H]2[C@@H]3[C@@H]1[C@@H](C(=O)O3)C)(C)O)C |
346.4 |
163019353 |
NPC41979 |
| [(3R,3aS,5S,6E,9S,10E,11aS)-5-hydroxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] (2R)-2-methylbutanoate |
CC[C@@H](C)C(=O)O[C@H]\1C/C=C(/[C@H](C[C@H]2[C@H](C(=O)O[C@@H]2/C=C1\C)C)O)\C |
350.4 |
163002625 |
NPC215317 |
| [(1S,2S,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] 2-methylpropanoate |
C[C@H]1[C@@H]2[C@H](C[C@]([C@]34C=C[C@]([C@@H]3[C@H]2OC1=O)(OO4)C)(C)O)OC(=O)C(C)C |
366.4 |
163015478 |
NPC54172 |
| [(1S,2S,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate |
C/C=C(\C)/C(=O)O[C@H]1C[C@]([C@]23C=C[C@]([C@@H]2[C@@H]4[C@@H]1[C@@H](C(=O)O4)C)(OO3)C)(C)O |
378.4 |
162908081 |
NPC153701 |
| [(3S,3aR,4S,6S,7R,9S,9bS)-6,7,9-trihydroxy-3,6,9-trimethyl-2-oxo-3a,4,5,7,8,9b-hexahydro-3H-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate |
C/C=C(/C)\C(=O)O[C@H]1C[C@](C2=C([C@@H]3[C@@H]1[C@@H](C(=O)O3)C)[C@@](C[C@H]2O)(C)O)(C)O |
380.4 |
163190622 |
NPC204443 |
| [(1'S,3R,3'S,3aS,6'S,7'R,8'S,9aS,9bS,10'R,12'S)-10'-hydroxy-1',6,6',9,10'-pentamethyl-2,5',7-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,14'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-8'-yl] acetate |
C[C@H]1[C@@H]2[C@H](C[C@@](C3=C([C@H]2OC1=O)[C@@]4(C[C@H]3C[C@@]45[C@@H]6CCC(=C7[C@@H]([C@H]6OC5=O)C(=CC7=O)C)C)C)(C)O)OC(=O)C |
550.6 |
163077754 |
NPC115275 |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
C1[C@@H]([C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
596.5 |
163004846 |
NPC293588 |