> Benzenoids / Phenanthrenes and derivatives / Aristolochic acids and derivatives
|
Aristolochic acid
|
2236 |
Click to see
COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
|
341.27 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactols
|
(2S,3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
|
14137604 |
Click to see
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
356.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
|
287685 |
Click to see
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
356.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
Cubebin
|
117443 |
Click to see
C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
356.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one
|
327062 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
354.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
Hinokinin
|
442879 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
|
354.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(1R,2R,4aR,5S,6R,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol
|
100958602 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C
|
324.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(2R,4aR,7R,8S,8aR)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
|
5318244 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)O)C
|
306.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(2R,4aR,7R,8S,8aR)-8-[(3S)-3-hydroxy-3-methylpentyl]-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
|
162988984 |
Click to see
CCC(C)(CCC1(C(CCC2(C1CC(C=C2C)O)C)C)C)O
|
308.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(2S,4aR,7R,8S,8aR)-8-[(3S)-3-hydroxy-3-methylpentyl]-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
|
162988983 |
Click to see
CCC(C)(CCC1(C(CCC2(C1CC(C=C2C)O)C)C)C)O
|
308.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(3R)-5-[(1S,2R,4aR,7S,8aR)-7-hydroperoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
|
5318122 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)OO)C
|
322.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(3R)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
|
161867435 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2C)C
|
290.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
(3S)-5-[(1S,2R,4aR,7S,8aR)-7-hydroperoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
|
163030384 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)OO)C
|
322.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
18-Deoxysagittarol
|
12305526 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2C)C
|
290.50 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 https://doi.org/10.1016/S0031-9422(98)00583-4 |
2 beta-Hydroxykolavelool
|
5318243 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)O)C
|
306.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
2-Oxokolavelool
|
5317100 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
2beta-Hydroxykolavelool
|
78385076 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)O)C
|
306.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
5-(3-hydroxy-3-methylpent-4-enyl)-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol
|
73190609 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC(C2(C)O)O)C
|
324.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
5-(7-Hydroperoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
|
78385044 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(C=C2C)OO)C
|
322.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
|
12305528 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2C)C
|
290.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
5250678 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C
|
304.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
8-(3-Hydroxy-3-methylpentyl)-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
|
162988982 |
Click to see
CCC(C)(CCC1(C(CCC2(C1CC(C=C2C)O)C)C)C)O
|
308.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
|
(3aR,6R,7S,7aR)-7-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid
|
5318832 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=C2C)C(=O)O)C
|
320.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
7-(3-hydroxy-3-methylpent-4-enyl)-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid
|
78385160 |
Click to see
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CC(=C2C)C(=O)O)C
|
320.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
97032059 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
(7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
5321422 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
beta-Spathulenol
|
522266 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
Spathulenol
|
92231 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 https://doi.org/10.1590/S0100-46702002000100009 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 https://doi.org/10.1590/S0100-46702002000100009 |
3-Hydroxystigmast-5-en-7-one
|
160608 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
3beta-Hydroxyporiferast-5-en-7-one
|
14779505 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
> Organoheterocyclic compounds / Azoles / Imidazoles
|
Allantoin
|
204 |
Click to see
C1(C(=O)NC(=O)N1)NC(=O)N
|
158.12 |
unknown |
https://doi.org/10.1590/S0100-46702002000100009 |
> Organoheterocyclic compounds / Epoxides
|
4,11,11-Trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]
|
162967746 |
Click to see
CC1=CCCC2(CO2)C3CC(C3CC1)(C)C
|
220.35 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |
Spiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane], 6,10,10-trimethyl-, [1S-(1R*,2S*,5E,9S*)]-
|
162967750 |
Click to see
CC1=CCCC2(CO2)C3CC(C3CC1)(C)C
|
220.35 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00583-4 |