> Lignans, neolignans and related compounds / Lignan lactones
|
(5R,5aS,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
134842228 |
Click to see
COC1=CC(=CC(=C1OC)OC)C2C3COC(=O)C3CC4=CC5=C(C=C24)OCO5
|
398.40 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
|
10017708 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
300.40 |
unknown |
https://doi.org/10.1021/NP000155K https://doi.org/10.1021/NP020258Y |
(1S,4aR,5S,8aR)-5-(3-carboxybut-2-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
162928034 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C(=O)O
|
320.40 |
unknown |
https://doi.org/10.1021/NP020258Y |
(1S,4aR,5S,8aR)-5-[(E)-3-carboxybut-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
637057 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C(=O)O
|
320.40 |
unknown |
https://doi.org/10.1021/NP020258Y |
1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
75054962 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=O
|
304.40 |
unknown |
https://doi.org/10.1021/NP020258Y |
1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
72957164 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=C
|
302.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
15618 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
300.40 |
unknown |
https://doi.org/10.1021/NP020258Y https://doi.org/10.1021/NP000155K |
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
|
44592589 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=O
|
304.40 |
unknown |
https://doi.org/10.1021/NP020258Y |
2-[(1S,4aS,10aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]acetic acid
|
44566201 |
Click to see
CC1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)(C)O)C)CC(=O)O
|
330.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
2-[8-(Hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-2-ol
|
72829381 |
Click to see
CC1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)(C)O)C)CO
|
302.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
5-(3-carboxybut-2-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
73088609 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C(=O)O
|
320.40 |
unknown |
https://doi.org/10.1021/NP020258Y |
Daturabietatriene
|
11392488 |
Click to see
CC1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)(C)O)C)CO
|
302.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
Dehydroabietic acid
|
94391 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
300.40 |
unknown |
https://doi.org/10.1021/NP020258Y https://doi.org/10.1021/NP000155K |
methyl (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
5316024 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)C=C
|
316.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
Methyl abieta-8,11,13-trien-18-oate
|
247581 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C
|
314.50 |
unknown |
https://doi.org/10.1021/NP000155K |
Methyl Dehydroabietate
|
14697 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)OC)C
|
314.50 |
unknown |
https://doi.org/10.1021/NP000155K |
Sandaracopimaric Acid
|
221580 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
|
302.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
trans-Communic acid
|
637125 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=C
|
302.50 |
unknown |
https://doi.org/10.1021/NP020258Y |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1S,6R,11R,12S,15S,16R,19S,21R)-19-hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
|
21633217 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1O)C)C)(C)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 https://doi.org/10.1055/S-2001-17360 |
(1S,6R,11R,12S,15S,16S,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
|
162939212 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1OC)C)C)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(1S,6S,11R,12R,15S,16R,19S,21R)-19-hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
|
163026501 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1O)C)C)(C)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(1S,6S,11R,12R,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
|
162939209 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1OC)C)C)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(1S,6S,8R,11R,12R,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-ol
|
162985142 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)O)(C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(3S,6R,8S,11R,12S,15S,16R,19S,21S)-8,19-dimethoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
|
162905248 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)OC)(C)C)C)C
|
470.80 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(3S,6R)-6-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
|
100927686 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
(3S,6R)-6-[(3S,5R,8S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
|
101121169 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
(3S,6R)-6-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
|
162939471 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC)C)C)C
|
474.80 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
(3S,6S,11R,12S,15S,16R,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-dione
|
162928763 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1=O)C)C)(C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
(5R,8S,10S,13R,14S,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
101142525 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(=O)C4(C)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
(8-Hydroxy-19-methoxy-1,7,11,16,20,20-hexamethyl-7-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl)methyl acetate
|
162891173 |
Click to see
CC(=O)OCC1(C(CCC2(C1CC=C3C2CCC4C(C3)(CCC5C4(CCC(C5(C)C)OC)C)C)C)O)C
|
514.80 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
[(1S,6R,7S,8S,11R,12S,15S,16R,19S,21R)-8-hydroxy-19-methoxy-1,7,11,16,20,20-hexamethyl-7-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl]methyl acetate
|
101142526 |
Click to see
CC(=O)OCC1(C(CCC2(C1CC=C3C2CCC4C(C3)(CCC5C4(CCC(C5(C)C)OC)C)C)C)O)C
|
514.80 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-1,2,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-3h-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-one
|
279466 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1OC)C)C)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 https://doi.org/10.1055/S-2001-17360 |
11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1h-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-ol
|
279464 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)O)(C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 https://doi.org/10.1055/S-2001-17360 |
17-(5,6-Dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
85089324 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(=O)C4(C)C)C)C)C
|
458.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
19-Hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
|
73816206 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1O)C)C)(C)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 https://doi.org/10.1055/S-2001-17360 |
21-Episerratenediol
|
12309682 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1O)C)C)O)(C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
3beta-Methoxy-21-oxoserratene
|
14830066 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(=O)CCC5(C4CCC3C2(CCC1OC)C)C)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
8,19-Dimethoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
|
14830064 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)OC)(C)C)C)C
|
470.80 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
CID 634946
|
634946 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1O)C)C)O)(C)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
Friedelan-3-one
|
244297 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP000155K |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP000155K |
Labd-14-ene, 8,13-epoxy-, (13S)-
|
6432025 |
Click to see
CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C
|
290.50 |
unknown |
https://doi.org/10.1021/NP000155K |
Serratenediol 3-methyl ether
|
21672660 |
Click to see
CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1OC)C)C)O)(C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
|
Methyl 2-[4,12,14-triacetyloxy-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate
|
73306400 |
Click to see
CC(=O)OC1CC2C3(C(C4(CC3(C(C4OC(=O)C)C(C2(C5C1(C(OC(=O)C5)C6=COC=C6)C)O)OC(=O)C)O)C)CC(=O)OC)C
|
646.70 |
unknown |
https://doi.org/10.1002/JCCS.197500045 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives
|
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
|
21606603 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC)C)C)C
|
430.70 |
unknown |
https://doi.org/10.1021/NP000155K |
(4R)-4-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
|
21606604 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC)C)C)C
|
430.70 |
unknown |
https://doi.org/10.1021/NP000155K |
(4R)-4-[(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
|
21606605 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(=O)C4(C)C)C)C)C
|
414.60 |
unknown |
https://doi.org/10.1021/NP000155K |
4-(3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
|
73800207 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC)C)C)C
|
430.70 |
unknown |
https://doi.org/10.1021/NP000155K |
4-(4,4,10,13,14-Pentamethyl-3-oxo-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
|
73800208 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(=O)C4(C)C)C)C)C
|
414.60 |
unknown |
https://doi.org/10.1021/NP000155K |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Monohydroxy bile acids, alcohols and derivatives
|
(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
|
21606602 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
|
416.60 |
unknown |
https://doi.org/10.1021/NP000155K |
4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
|
12311011 |
Click to see
CC(CCC(=O)O)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
|
416.60 |
unknown |
https://doi.org/10.1021/NP000155K |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
(3S,4R,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(E,2R,5S)-5-[[(2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4-hydroxyoxolan-2-yl]oxymethyl]-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15,16-hexol
|
163088767 |
Click to see
CC(C)C(COC1C(C(C(O1)C(CO)O)O)OC2C(C(C(CO2)O)O)OC)C=CC(C)C3C(C(C4C3(CCC5C4(CC(C6C5(CCC(C6O)O)C)O)O)C)O)O
|
805.00 |
unknown |
https://doi.org/10.1055/S-2001-17360 |
> 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/10.1021/NP000155K |
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/10.1021/NP000155K |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1021/NP000155K |