> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
(2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine
|
15612894 |
Click to see
CNCC(C1=CC(=C(C=C1)OC)OC)OC
|
225.28 |
unknown |
via CMAUP database |
(R)-3,4-Dimethoxy-alpha-((methylamino)methyl)benzenemethanol
|
12888928 |
Click to see
CNCC(C1=CC(=C(C=C1)OC)OC)O
|
211.26 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
Linolenic Acid
|
5280934 |
Click to see
CCC=CCC=CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
https://doi.org/10.1002/LIPI.19780800603 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
|
(1R,2E,4S,7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
|
12444349 |
Click to see
CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O
|
290.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(3R,5S,6S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
|
11085279 |
Click to see
CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C
|
218.33 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
11876092 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97180-2 |
(3S,5R,8R,9R,10R,13R,14R,17R)-17-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
9955042 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C(=C)CC=CC(C)(C)O)C)C)C
|
442.70 |
unknown |
via CMAUP database |
Diosgenin
|
99474 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
https://doi.org/10.1126/SCIENCE.161.3846.1145 https://doi.org/10.1021/JA01119A532 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97180-2 |
Spirost-5-en-3-ol
|
234096 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
https://doi.org/10.1126/SCIENCE.161.3846.1145 https://doi.org/10.1021/JA01119A532 |
Yamogenin
|
441900 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Dihydroxy bile acids, alcohols and derivatives
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
163008416 |
Click to see
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)C(CC(C)C(C)C)O)C)C)O
|
430.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85398-2 |
17-(3-hydroxy-5,6-dimethylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
163008415 |
Click to see
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)C(CC(C)C(C)C)O)C)C)O
|
430.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85398-2 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
(3S,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
7055705 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
Cholesterol
|
5997 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 https://doi.org/10.1016/0031-9422(73)80027-5 |
Cholesterol-3-13C
|
304 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
|
(3S,8R,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
5316233 |
Click to see
CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)O)C)C(C)CCCC(C)C)C
|
444.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
|
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
145925700 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
Cycloartanol
|
12760132 |
Click to see
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
428.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
Cycloartenol
|
92110 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids
|
(3I(2),24I(3/4))-3-(Benzoyloxy)-22-hydroxy-4-methylergost-7-en-6-one
|
162975199 |
Click to see
CC1C(CCC2(C1C(=O)C=C3C2CCC4(C3CCC4C(C)C(CC(C)C(C)C)O)C)C)OC(=O)C5=CC=CC=C5
|
548.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85398-2 |
[(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
|
162975200 |
Click to see
CC1C(CCC2(C1C(=O)C=C3C2CCC4(C3CCC4C(C)C(CC(C)C(C)C)O)C)C)OC(=O)C5=CC=CC=C5
|
548.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85398-2 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
163015460 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
134766514 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
5-Cholestene-3-ol, 24-methyl-
|
312822 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 https://doi.org/10.1016/0031-9422(73)80027-5 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Spirosolanes and derivatives
|
(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
|
137704740 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
|
413.60 |
unknown |
https://doi.org/10.1007/BF01020638 https://doi.org/10.1007/BF01027136 https://doi.org/10.1016/S0254-6299(15)30886-3 |
Solasodine
|
442985 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
|
413.60 |
unknown |
https://doi.org/10.1039/JR9530002809 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'R,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
11600197 |
Click to see
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1)O
|
740.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
11600196 |
Click to see
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1)O
|
740.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
11571295 |
Click to see
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1)O
|
740.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
9942086 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
884.10 |
unknown |
via CMAUP database |
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
6326048 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1
|
721.90 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
162931729 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
https://doi.org/10.1007/S10886-006-9192-Y |
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
102155845 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19C(CC(CO9)CO)O
|
901.00 |
unknown |
via CMAUP database |
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
21603983 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
16204068 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
(2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[(1R,2S,4R,5'S,6R,7R,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
|
138108074 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)C)O)OCC8C(C(C(C(O8)O)O)O)O)O)C)C)C)NC1
|
721.90 |
unknown |
https://doi.org/10.1016/0031-9422(95)00846-2 |
2-[2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
162931728 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
https://doi.org/10.1007/S10886-006-9192-Y |
Asparasaponin I
|
441899 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
via CMAUP database |
Borassoside B
|
102155844 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19C(CC(CO9)CO)O
|
901.00 |
unknown |
via CMAUP database |
Borassoside D
|
16204180 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)OC1
|
722.90 |
unknown |
via CMAUP database |
Borassoside E
|
16204181 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
Borassoside F
|
16204183 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1
|
1015.20 |
unknown |
via CMAUP database |
CID 146014454
|
146014454 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
884.10 |
unknown |
https://doi.org/10.1016/0031-9422(95)00846-2 |
CID 21573759
|
21573759 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1
|
721.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 https://doi.org/10.1016/0031-9422(73)80027-5 |
Collettinside III
|
10653210 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
Dioscin
|
119245 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
Disogluside
|
11827970 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1
|
576.80 |
unknown |
via CMAUP database |
Khasianine
|
3479482 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1
|
721.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 https://doi.org/10.1016/0031-9422(73)80027-5 |
Methylprotodioscin
|
11263254 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC
|
1063.20 |
unknown |
via CMAUP database |
Pennogenin Rahamnosyl Chacotrioside
|
21603986 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1
|
1015.20 |
unknown |
via CMAUP database |
Progenin II
|
44429638 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)OC1
|
722.90 |
unknown |
via CMAUP database |
Prosapogenin A
|
11061578 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1
|
722.90 |
unknown |
via CMAUP database |
Protodioscin
|
441891 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
via CMAUP database |
Pseudoprotodioscin
|
21637110 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CC8C7C(=C(O8)CCC(C)COC9C(C(C(C(O9)CO)O)O)O)C)C)C)CO)O)O)O
|
1031.20 |
unknown |
via CMAUP database |
Solamargine
|
73611 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
868.10 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 https://doi.org/10.1016/0031-9422(73)80027-5 https://doi.org/10.1016/0031-9422(95)00846-2 https://doi.org/10.1016/0031-9422(75)85123-5 |
Solamarin, beta
|
437080 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
|
868.10 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 |
Torvoside C
|
12313943 |
Click to see
CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1)O
|
740.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2011.01.028 |
Yamogenin 3-O-neohesperidoside
|
441901 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1
|
722.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-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
|
163042754 |
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/10.1016/0031-9422(73)80027-5 |
(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-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
|
162928685 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
574.80 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-3-hydroxy-4,10,13-trimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
|
163042978 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)O)C)C)O)C(C)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
162996673 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)O)C(C)C
|
444.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
11870463 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
(3S,8R,9S,10R,13R,14R,17S)-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-ol
|
162965368 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
[(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-14-hydroxy-4,10,13-trimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
162981886 |
Click to see
CCC(CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)O)C(C)C
|
578.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
[(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-hydroxybenzoate
|
163032896 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=C(C=C5)O)C)C)O)C(C)C
|
578.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
[(3S,4S,5S,9R,10R,13R,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-14-hydroxy-4,10,13-trimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
162981885 |
Click to see
CCC(CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)O)C(C)C
|
578.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
[17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-14-hydroxy-4,10,13-trimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
162981884 |
Click to see
CCC(CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)O)C(C)C
|
578.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
[17-(5-Ethyl-3-hydroxy-6-methylheptan-2-yl)-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-hydroxybenzoate
|
163032895 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=C(C=C5)O)C)C)O)C(C)C
|
578.80 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
17-(5-Ethyl-3-hydroxy-6-methylheptan-2-yl)-3-hydroxy-4,10,13-trimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
|
163042977 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)O)C)C)O)C(C)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
162996672 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)O)C(C)C
|
444.70 |
unknown |
https://doi.org/10.1016/0031-9422(75)85123-5 |
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
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/10.1126/SCIENCE.161.3846.1145 https://doi.org/10.1016/0031-9422(73)80027-5 |
2-[[17-(5-ethyl-6-methylhept-3-en-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
|
73072970 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
574.80 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
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/10.1016/0031-9422(75)85123-5 https://doi.org/10.1126/SCIENCE.161.3846.1145 |
24-Ethyllophenol
|
541368 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
4alpha-Methyl-5alpha-stigmast-7-en-3beta-ol
|
129854202 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
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/10.1016/0031-9422(73)80027-5 https://doi.org/10.1016/0031-9422(75)85123-5 |
Carpesterol
|
21155918 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C
|
562.80 |
unknown |
https://doi.org/10.1007/BF03045347 https://doi.org/10.1021/JO00824A022 |
Isocarpesterol
|
569212 |
Click to see
CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C
|
562.80 |
unknown |
https://doi.org/10.1007/BF03045347 https://doi.org/10.1021/JO00824A022 |
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/10.1016/0031-9422(73)80027-5 |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 https://doi.org/10.1016/0031-9422(75)85123-5 |
Stigmasterol glucoside
|
6602508 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
574.80 |
unknown |
https://doi.org/10.1016/0031-9422(73)80027-5 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
4-O-beta-D-mannopyranosyl-alpha-D-mannopyranose
|
5288769 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
342.30 |
unknown |
via CMAUP database |
Gal(a1-6)a-Man
|
11724912 |
Click to see
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
|
342.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-beta-D-Manp
|
5287808 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
|
504.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
|
[(8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
|
3083935 |
Click to see
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC
|
318.37 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
|
Esculin
|
5281417 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
https://doi.org/10.1055/S-0028-1099601 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
|
Esculetin
|
5281416 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)O)O
|
178.14 |
unknown |
https://doi.org/10.1055/S-0028-1099601 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1055/S-0028-1099601 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
9879022 |
Click to see
C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O
|
288.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
3-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
162990728 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
|
626.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89302-4 |