| Betulin |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
442.7 |
72326 |
NPC178383 |
| Friedelin |
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
426.7 |
91472 |
NPC307063 |
| Secologanin dimethyl acetal |
COC(CC1C(C(OC=C1C(=O)OC)OC2C(C(C(C(O2)CO)O)O)O)C=C)OC |
434.4 |
157140 |
NPC44840 |
| 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-methyl-6-(3-methyl-2-butenyl)-2-phenyl-, (S)- |
CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)CC=C(C)C)O |
338.4 |
179806 |
NPC49041 |
| Lupeol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
426.7 |
259846 |
NPC192638 |
| Methyl 2-(hexopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate |
COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O |
388.4 |
369002 |
NPC315484 |
| 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 |
| Rottlerin |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O |
516.5 |
5281847 |
NPC257236 |
| Undulatoside A |
CC1=CC(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O |
354.31 |
5321494 |
NPC191154 |
| (3R,4S,4aR)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one |
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O |
358.34 |
9906781 |
NPC162656 |
| (1R)-1alpha,3alpha,4alpha-Trihydroxy-5beta-(3,4-dihydroxycinnamoyloxy)cyclohexanecarboxylic acid methyl ester |
COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
368.3 |
9929180 |
NPC18229 |
| Roseoside |
CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C |
386.4 |
9930064 |
NPC169468 |
| 2-[(2S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid |
COC(=O)C1=COC(C(C1CC(=O)O)C=C)OC2C(C(C(C(O2)CO)O)O)O |
404.4 |
9978537 |
NPC52903 |
| 8-Epiloganin |
CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
390.4 |
10548420 |
NPC177013 |
| Ethyl chlorogenate |
CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
382.4 |
11326520 |
NPC205751 |
| Butyl chlorogenate |
CCCCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
410.4 |
12135130 |
NPC112834 |
| (2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
CC1C(=O)C(CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
442.7 |
12302767 |
NPC17611 |
| 1-O-feruloyl-beta-D-glucose |
COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O |
356.32 |
13962928 |
NPC157554 |
| Mallotus A |
CC1(C=CC2=C(C(=C(C(=C2O1)O)O)C(=O)C=CC3=CC=CC=C3)O)C |
338.4 |
14188384 |
NPC214034 |
| 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=CC=C2)O)C |
338.4 |
14188385 |
NPC307956 |
| Epivogeloside |
COC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C |
388.4 |
14192590 |
NPC75355 |
| 3-Hydroxyfriedela-3-ene-2-one |
CC1=C(C(=O)CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
440.7 |
14465806 |
NPC18955 |
| 3alpha-Hydroxyfriedelane-2-one |
CC1C(C(=O)CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
442.7 |
14465808 |
NPC267753 |
| methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
390.4 |
16212335 |
NPC2665 |
| Grandifloroside |
C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CCOC(=O)C=CC3=CC(=C(C=C3)O)O |
538.5 |
20056012 |
NPC150188 |
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
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 |
44258737 |
NPC299480 |
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-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=CC=C(C=C5)O)O)O)O)O)O)O |
594.5 |
44258806 |
NPC230861 |
| Quercetin 3-robinobioside |
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 |
44259100 |
NPC79002 |
| (1R,18R,19R,20S)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
C=CC1C2CC3C4=C(CCN3C(=O)C2=C(OC1OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=CC=C6N4 |
514.5 |
44567197 |
NPC97553 |
| (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
376.36 |
45358135 |
NPC87419 |
| 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 |
| (E)-1-[(1R,4S,13R)-9-hydroxy-1,5,5-trimethyl-10-(3-methylbut-2-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one |
CC(=CCC1=C(C(=C2C3=C1OC4(CCC(C3C4)C(O2)(C)C)C)C(=O)C=CC5=CC=CC=C5)O)C |
458.6 |
56833868 |
NPC45532 |
| (2S)-8-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C3C(=C(C(=C2O)CC=C(C)C)O)C(=O)CC(O3)C4=CC=CC=C4)O |
518.6 |
73352327 |
NPC228779 |
| Kamalachalcone C |
CC1=C(C2=C(C(=C1O)C(=O)C=CC3=CC=CC=C3)OC(C4C2OC5=C(C4)C(=C(C(=C5C)O)C(=O)C)O)(C)C)O |
530.6 |
101721039 |
NPC13407 |
| 5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one |
COC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C |
388.4 |
101939796 |
NPC214349 |
| (2S)-5,7-Dihydroxy-6-methyl-8-prenylflavanone |
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)CC=C(C)C)O |
338.4 |
102154219 |
NPC157893 |
| (2S)-5-Hydroxy-2alpha-phenyl-6,8,8-trimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-4(3H)-one |
CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=CC=CC=C4)O |
336.4 |
102434194 |
NPC183344 |
| (E)-3-phenyl-1-[(1R,2R,11S)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one |
CC1=C(C2=C(C(=C1O)C(=O)C=CC3=CC=CC=C3)OC(C4C2OC5=C6C4CC(OC6=C(C(=C5C)O)C(=O)C=CC7=CC=CC=C7)(C)C)(C)C)O |
672.8 |
102438611 |
NPC250235 |
| (E)-1-[(1R,2R,11S)-14-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-7,9,15-trihydroxy-3,3,8,19,19-pentamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]-3-phenylprop-2-en-1-one |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C4=C2OC5C(C4CC(O3)(C)C)C(OC6=C5C(=C(C(=C6C(=O)C=CC7=CC=CC=C7)O)C)O)(C)C)C(=O)C=CC8=CC=CC=C8)O)O |
852.9 |
102438612 |
NPC293944 |
| (8R)-5-hydroxy-2,2,10-trimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
CC1=C2C(=C(C3=C1O[C@H](CC3=O)C4=CC=CC=C4)O)C=CC(O2)(C)C |
336.4 |
163070967 |
NPC210492 |
| (3S,5S,8S,9S,10R,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde |
C[C@]12CC[C@H]3[C@@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O |
388.5 |
162916320 |
NPC25622 |
| NA |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-] |
463.4 |
54758589 |
NPC275463 |
| (2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-1-one |
CC[C@@H](C)C(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C)O)C(=O)C)O)O)C=CC(O2)(C)C |
470.5 |
162929680 |
NPC119959 |
| NA |
C=C[C@@H]1[C@H]2C(=CO[C@H]1O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)CC4CC5=C(CN4C2=O)NC6=CC=CC=C56 |
498.5 |
45479597 |
NPC305074 |
| (2R)-1-[5,7-dihydroxy-2,2-dimethyl-6-[[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]chromen-8-yl]-2-methylbutan-1-one |
CC[C@@H](C)C(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C)O)C(=O)C(C)C)O)O)C=CC(O2)(C)C |
498.6 |
162971672 |
NPC53652 |
| (4aS,6aS,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid |
CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C(=O)O)(C)C)C)C |
498.7 |
162903734 |
NPC49970 |
| NA |
COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O.C(Cl)(Cl)Cl |
507.7 |
53398668 |
NPC227854 |
| (8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C3C(=C(C4=C2O[C@@H](CC4=O)C5=CC=CC=C5)O)C=CC(O3)(C)C)O |
516.5 |
163016703 |
NPC185201 |
| (8R)-10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C3C(=C(C4=C2O[C@H](CC4=O)C5=CC=C(C=C5)O)O)C=CC(O3)(C)C)O |
532.5 |
162846241 |
NPC298759 |
| (E)-3-phenyl-1-[(1S,2S,11R)-7,9,15-trihydroxy-3,3,8,14,19,19-hexamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]prop-2-en-1-one |
CC1=C(C2=C(C(=C1O)C(=O)/C=C/C3=CC=CC=C3)OC([C@@H]4[C@H]2OC5=C6[C@H]4CC(OC6=C(C(=C5C)O)C(=O)/C=C/C7=CC=CC=C7)(C)C)(C)C)O |
672.8 |
163193329 |
NPC220170 |
| (E)-1-[(1R,2R,8R,17R,23S)-20-acetyl-26-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-13,15,21,27-tetrahydroxy-3,3,9,9,14,31,31-heptamethyl-28-[(E)-3-phenylprop-2-enoyl]-4,10,18,24,30-pentaoxaoctacyclo[23.7.1.02,23.05,22.06,19.08,17.011,16.029,33]tritriaconta-5,11(16),12,14,19,21,25(33),26,28-nonaen-12-yl]-3-phenylprop-2-en-1-one |
CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C4=C2O[C@H]5[C@@H]([C@H]4CC(O3)(C)C)C(OC6=C7C[C@@H]8[C@H](C9=C(C(=C(C(=C9O)C)O)C(=O)/C=C/C1=CC=CC=C1)OC8(C)C)OC7=C(C(=C56)O)C(=O)C)(C)C)C(=O)/C=C/C1=CC=CC=C1)O)O |
1099.2 |
162866833 |
NPC71448 |
| LHHQTXPEHJNOCX-ZHACJKMWSA-N |
C[C@H](CCC1=C(C)[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@@]5(C)[C@@H]4CC[C@@]23C)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](COC(=O)C)O2)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](C)O2)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](CO)O2)O)O)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)O1)CO[C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O |
1235.374 |
NA |
NPC311514 |
| RMXQMINHLCTDHP-JXMROGBWSA-N |
c1c(cc(c(c1O)O)O)[C@@H]1[C@@H](Cc2c(cc(c([C@H]3c4c(cc(c([C@H]5c6c(cc(c([C@H]7c8c(cc(c([C@H]9c%10c(cc(cc%10O[C@H](c%10cc(c(c(c%10)O)O)O)[C@@H]9OC(=O)c9cc(c(c(c9)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@@H](CO)O9)O)O)O)O)c8O[C@H](c8cc(c(c(c8)O)O)O)[C@H]7O)O)O)c6O[C@H](c6cc(c(c(c6)O)O)O)[C@H]5O)O)O)c4O[C@H](c4cc(c(c(c4)O)O)O)[C@@H]3OC(=O)c3cc(c(c(c3)O)O)O)O)O)c2O1)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
2141.742 |
NA |
NPC244197 |
| TXWOIYACVCIZMD-SOFGYWHQSA-N |
c1c(cc(c(c1O)O)O)[C@@H]1[C@@H](Cc2c(cc(c([C@H]3c4c(cc(c([C@H]5c6c(cc(c([C@H]7c8c(cc(c([C@H]9c%10c(cc(cc%10O[C@H](c%10cc(c(c(c%10)O)O)O)[C@@H]9OC(=O)c9cc(c(c(c9)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@@H](CO)O9)O)O)O)O)c8O[C@H](c8cc(c(c(c8)O)O)O)[C@H]7O)O)O)c6O[C@H](c6cc(c(c(c6)O)O)O)[C@H]5O)O)O)c4O[C@H](c4cc(c(c(c4)O)O)O)[C@@H]3OC(=O)c3cc(c(c(c3)O)O)O)O)O)c2O1)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
2141.742 |
NA |
NPC14641 |