> Lignans, neolignans and related compounds / Lignan glycosides
|
4-(1,3-Benzodioxol-5-ylmethyl)-3-[[6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one
|
162980147 |
Click to see
C1C(C(C(=O)O1)CC2=CC3=C(C=C2OC4C(C(C(C(O4)CO)O)O)O)OCO3)CC5=CC6=C(C=C5)OCO6
|
532.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 https://doi.org/10.1016/S0040-4020(01)93127-8 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Grayanoids
|
(1S,3R,6S,8E,10S,13R,14R,16R)-3,6,14,16-tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one
|
14060926 |
Click to see
CC1=CCC(C(C(=O)C(CC23C1CCC(C2O)C(C3)(C)O)O)(C)C)O
|
352.50 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
(1S,3R,6S,8S,10S,13R,14R,16R)-3,6,8,14,16-pentahydroxy-5,5,14-trimethyl-9-methylidenetricyclo[11.2.1.01,10]hexadecan-4-one
|
101593007 |
Click to see
CC1(C(CC(C(=C)C2CCC3C(C2(CC(C1=O)O)CC3(C)O)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1016/S0040-4039(01)82168-7 |
3,6,14,16-Tetrahydroxy-5,5,9,14-tetramethyltricyclo[11.2.1.01,10]hexadec-8-en-4-one
|
162855704 |
Click to see
CC1=CCC(C(C(=O)C(CC23C1CCC(C2O)C(C3)(C)O)O)(C)C)O
|
352.50 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
3,6,8,14,16-Pentahydroxy-5,5,14-trimethyl-9-methylidenetricyclo[11.2.1.01,10]hexadecan-4-one
|
78178588 |
Click to see
CC1(C(CC(C(=C)C2CCC3C(C2(CC(C1=O)O)CC3(C)O)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1016/S0040-4039(01)82168-7 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Grayanoids / Leucothol and grayanotoxane diterpenoids
|
(1R,3R,6S,8S,10R,13R,14R)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
|
101306850 |
Click to see
CC1(C(CC2C(C1=O)CC34CC(CCC3C2=C)C(C4)(C)O)O)C
|
318.40 |
unknown |
https://doi.org/10.1246/CL.1972.783 https://doi.org/10.1016/S0040-4039(01)94173-5 https://doi.org/10.1016/0040-4020(73)80092-4 |
(1R,3S,4S,6R,8R,9S,10S,13S,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
|
73051 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
|
370.50 |
unknown |
https://doi.org/10.1248/CPB.48.142 https://doi.org/10.1021/JM00360A012 |
(1R,3S,6S,8R,10S,13R,14R,16R)-3,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
|
101306851 |
Click to see
CC1(C(CC2C(=C)C3CCC4C(C3(CC4(C)O)CC2(C1=O)O)O)O)C
|
350.40 |
unknown |
https://doi.org/10.1016/0040-4020(73)80092-4 https://doi.org/10.1016/S0040-4039(01)94173-5 |
(1R,4R,8S,9R,10R,13R,14R,16R)-4,9,14,16-tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-dione
|
101316773 |
Click to see
CC1(C(=O)CC2C1(C(=O)CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)C
|
366.40 |
unknown |
https://doi.org/10.1246/BCSJ.49.835 |
(1S,3R,4R,6R,8S,9R,10R,13R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
|
162932014 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
|
370.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
(1S,3R,4R,8S,9R,10R,13R,14R,16R)-3,4,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecan-6-one
|
101316772 |
Click to see
CC1(C(=O)CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1016/S0040-4020(01)93127-8 |
(1S,4R,8S,9R,10S,13S,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
|
138113481 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
|
370.50 |
unknown |
https://doi.org/10.1021/JM00360A012 https://doi.org/10.1248/CPB.48.142 |
(2S,10aalpha,11aalpha,12R)-Tetradecahydro-3,3,7-trimethyl-11-methylene-5abeta,8beta-methano-5aH-cyclohepta[b]naphthalene-2alpha,4alpha,4abeta,7beta,12-pentol
|
198188 |
Click to see
CC1(C(CC2C(=C)C3CCC4C(C3(CC4(C)O)CC2(C1O)O)O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/S0040-4039(01)94173-5 https://doi.org/10.1016/0040-4020(73)80092-4 https://doi.org/10.1246/CL.1972.787 |
3,4,9,14,16-Pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecan-6-one
|
53462870 |
Click to see
CC1(C(=O)CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)C
|
368.50 |
unknown |
https://doi.org/10.1016/S0040-4020(01)93127-8 |
3,6,14,16-Tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
|
12305008 |
Click to see
CC1(C(CC2C(=C)C3CCC4C(C3(CC4(C)O)CC2(C1=O)O)O)O)C
|
350.40 |
unknown |
https://doi.org/10.1016/S0040-4039(01)94173-5 https://doi.org/10.1016/0040-4020(73)80092-4 |
4,9,14,16-Tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,6-dione
|
162881296 |
Click to see
CC1(C(=O)CC2C1(C(=O)CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)C
|
366.40 |
unknown |
https://doi.org/10.1246/BCSJ.49.835 |
Andromedol
|
3511 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
|
370.50 |
unknown |
https://doi.org/10.1248/CPB.48.142 https://doi.org/10.1016/0031-9422(80)80203-2 |
Grayanotoxin I
|
9548612 |
Click to see
CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
|
412.50 |
unknown |
https://doi.org/10.1254/JJP.36.205 https://doi.org/10.1246/BCSJ.65.2836 https://doi.org/10.1016/S0040-4020(01)93127-8 https://doi.org/10.1021/JM00360A012 |
grayanotoxin III
|
11057730 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C
|
370.50 |
unknown |
https://doi.org/10.1248/CPB.48.142 |
Leucothol B
|
101324717 |
Click to see
CC1(C(CC2C(=C)C3CCC4C(C3(CC4(C)O)CC2(C1O)O)O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0040-4020(73)80092-4 https://doi.org/10.1016/S0040-4039(01)94173-5 https://doi.org/10.1246/CL.1972.787 |
Rhodotoxin
|
231125 |
Click to see
CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
|
412.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 https://doi.org/10.1016/S0040-4020(01)93127-8 |
Rhodotoxine
|
442034 |
Click to see
CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
|
412.50 |
unknown |
https://doi.org/10.1254/JJP.36.205 https://doi.org/10.1021/JM00360A012 https://doi.org/10.1246/BCSJ.65.2836 https://doi.org/10.1016/0031-9422(80)80203-2 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
Taraxerol
|
92097 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
|
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,6R,7R,10R,11S,12S,14S)-2,6-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.14,7.01,12.04,10]heptadecan-14-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
21672164 |
Click to see
CC1C2CC(C(C23C(CC45C1(O3)CCC(C4)C(C5)(C)O)O)(C)C)OC6C(C(C(C(O6)CO)O)O)O
|
498.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82214-1 |
[(10S)-5,9-Epoxy-6beta,16-dihydroxygrayanotoxan-3beta-yl]beta-D-glucopyranoside
|
73820840 |
Click to see
CC1C2CC(C(C23C(CC45C1(O3)CCC(C4)C(C5)(C)O)O)(C)C)OC6C(C(C(C(O6)CO)O)O)O
|
498.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82214-1 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,4aS,6aR,6aR,6bR,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14a-tetradecahydro-1H-picen-3-ol
|
163023159 |
Click to see
CC1CCC2(CCC3(C(C2C1C)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
51892422 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
(4R)-2beta,3beta,23-trihydroxy-oleana-5,12-dien-28-oic acid
|
73242191 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
486.70 |
unknown |
https://doi.org/10.1016/0040-4020(73)80092-4 https://doi.org/10.1016/S0040-4039(01)94173-5 https://doi.org/10.1246/CL.1972.783 |
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
Lupeol
|
259846 |
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/10.1246/CL.1985.443 |
Ursolic acid acetate
|
6475119 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
|
498.70 |
unknown |
https://doi.org/10.1246/CL.1985.443 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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/10.1246/CL.1985.443 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
(-)-Leucothol C
|
42608227 |
Click to see
CC1=CC23CC4(C(CC(C(C4O)(C)C)O)C(=C)C2CCC1C3O)O
|
334.40 |
unknown |
https://doi.org/10.1246/CL.1972.787 |
(1R,3R,4R,6S,8R,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol
|
101316945 |
Click to see
CC1=CC23CC1CCC2C(=C)C4CC(C(C4(C(C3)O)O)(C)C)O
|
318.40 |
unknown |
https://doi.org/10.1246/CL.1979.665 |
(1R,3R,4R,6S,8S,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol
|
101652322 |
Click to see
CC1=CC23CC1CCC2C(=C)C4CC(C(C4(C(C3)O)O)(C)C)O
|
318.40 |
unknown |
https://doi.org/10.1246/BCSJ.54.1622 |
(1R,3S,4S,6S,8R,10S,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14-tetrol
|
162997640 |
Click to see
CC1(C(CC2C1(C(CC34CC(CCC3C2=C)C(C4)(C)O)O)O)O)C
|
336.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
(1S,3R,4R,8S,10S,13S,16R)-3,4,16-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-en-6-one
|
163040615 |
Click to see
CC1=CC23CC(C4(C(CC(=O)C4(C)C)C(=C)C2CCC1C3O)O)O
|
332.40 |
unknown |
https://doi.org/10.1246/BCSJ.54.657 |
(1S,3S,4S,6S,8R,10S,13R,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
|
162934732 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
(4,6,14,16-Tetrahydroxy-5,5,14-trimethyl-9-methylidene-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate
|
78299265 |
Click to see
CC(=O)OC1CC23CC(C(C2O)CCC3C(=C)C4C1(C(C(C4)O)(C)C)O)(C)O
|
394.50 |
unknown |
https://doi.org/10.1246/BCSJ.49.835 |
[(1S,3R,4R,6S,8S,10S,13R,14R,16R)-4,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidene-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
|
101277320 |
Click to see
CC(=O)OC1CC23CC(C(C2O)CCC3C(=C)C4C1(C(C(C4)O)(C)C)O)(C)O
|
394.50 |
unknown |
https://doi.org/10.1246/BCSJ.49.835 |
[(1S,3R,4S,6R,8S,10S,13R,14R,16S)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
|
162930316 |
Click to see
CC(=O)OC1C2CCC3C1(CC(C4(C(C3=C)CC(C4(C)C)O)O)O)CC2(C)O
|
394.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
3,4,16-Trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-en-6-one
|
163040614 |
Click to see
CC1=CC23CC(C4(C(CC(=O)C4(C)C)C(=C)C2CCC1C3O)O)O
|
332.40 |
unknown |
https://doi.org/10.1246/BCSJ.54.657 |
5,5,14-Trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadec-14-ene-3,4,6,16-tetrol
|
74819475 |
Click to see
CC1=CC23CC4(C(CC(C(C4O)(C)C)O)C(=C)C2CCC1C3O)O
|
334.40 |
unknown |
https://doi.org/10.1246/CL.1972.787 |
5,5,14-Trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol
|
162998523 |
Click to see
CC1=CC23CC1CCC2C(=C)C4CC(C(C4(C(C3)O)O)(C)C)O
|
318.40 |
unknown |
https://doi.org/10.1246/BCSJ.54.1622 https://doi.org/10.1246/CL.1979.665 |
5,5,14-Trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
|
14060929 |
Click to see
CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)O)C
|
352.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
5,5,9,14-Tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14,16-pentol
|
14060931 |
Click to see
CC1=C2CCC3C(C2(CC(C4(C1CC(C4(C)C)O)O)O)CC3(C)O)O
|
352.50 |
unknown |
https://doi.org/10.1248/CPB.48.142 |
Grayanotox-10(20)-ene-3beta,5,6beta,16-tetrol
|
73817554 |
Click to see
CC1(C(CC2C1(C(CC34CC(CCC3C2=C)C(C4)(C)O)O)O)O)C
|
336.50 |
unknown |
https://doi.org/10.1016/0031-9422(80)80203-2 |
Grayanotoxin IV
|
101316771 |
Click to see
CC(=O)OC1C2CCC3C1(CC(C4(C(C3=C)CC(C4(C)C)O)O)O)CC2(C)O
|
394.50 |
unknown |
https://doi.org/10.1016/S0040-4020(01)93127-8 |
Isograyanotoxin II
|
14060932 |
Click to see
CC1=C2CCC3C(C2(CC(C4(C1CC(C4(C)C)O)O)O)CC3(C)O)O
|
352.50 |
unknown |
https://doi.org/10.1248/CPB.48.142 |