> Alkaloids and derivatives / Benzophenanthridine alkaloids / Secobenzophenanthridine alkaloids
|
Arnottianamide
|
3085181 |
Click to see
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O
|
381.40 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / Tyrosols and derivatives
|
2-(4-Hydroxyphenyl)ethyl hexatriacontanoate
|
102420150 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
|
657.10 |
unknown |
via CMAUP database |
2-(4-Hydroxyphenyl)ethyl tetracontanoate
|
102420151 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
|
713.20 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
5-Ethyl-3-methyl-1,2-dihydroazulene
|
162845316 |
Click to see
CCC1=CC2=C(CCC2=CC=C1)C
|
172.27 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
(-)-Sesamin
|
382073 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
Arctigenin methyl ether
|
384877 |
Click to see
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC
|
386.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate
|
163018132 |
Click to see
CC=C(C)C(=O)OC1CCC2(C3C(C2C(=O)C=C3C)C1(C)C)C
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2R,3S,4S,5S,7S,8R)-3-hydroxy-2,6,6,9-tetramethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
|
162984440 |
Click to see
CC=C(C)C(=O)OC1C(C2(C3C(C2C(=O)C=C3C)C(C1OC(=O)C(=CC)C)(C)C)C)O
|
430.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2R,3S,4S,5S,7S,8S,9R)-3-hydroxy-2,6,6,9-tetramethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
21671299 |
Click to see
CC=C(C)C(=O)OC1C(C2(C3C(CC(=O)C2C3C(C1OC(=O)C(=CC)C)(C)C)C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/S0040-4020(01)92344-0 https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2R,4S,5S,7S,8R)-2,6,6,9-tetramethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
|
163064358 |
Click to see
CC=C(C)C(=O)OC1CC2(C3C(C2C(=O)C=C3C)C(C1OC(=O)C(=CC)C)(C)C)C
|
414.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2R,4S,5S,7S,8S,9R)-2,6,6,9-tetramethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
21592348 |
Click to see
CC=C(C)C(=O)OC1CC2(C3C(CC(=O)C2C3C(C1OC(=O)C(=CC)C)(C)C)C)C
|
416.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2S,4R,7R,8R)-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
|
163018133 |
Click to see
CC=C(C)C(=O)OC1CCC2(C3C(C2C(=O)C=C3C)C1(C)C)C
|
316.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2S,4S,5R,6S,7R,8R)-5-acetyloxy-3,3,7,9-tetramethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
|
163051574 |
Click to see
CC=C(C)C(=O)OC1C(C(C2(C3C(C2C(=O)C=C3C)C1(C)C)C)OC(=O)C(=CC)C)OC(=O)C
|
472.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2S,4S,5S,7R,8R)-3,3,7,9-tetramethyl-5-(2-methylpropanoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate
|
163011550 |
Click to see
CC=C(C)C(=O)OC1C(CC2(C3C(C2C(=O)C=C3C)C1(C)C)C)OC(=O)C(C)C
|
402.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1S,2S,3R,4R,5R,7R,8R,9S)-3-hydroxy-2,6,6,9-tetramethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
163057349 |
Click to see
CC=C(C)C(=O)OC1C(C2(C3C(CC(=O)C2C3C(C1OC(=O)C(=CC)C)(C)C)C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/S0040-4020(01)92344-0 |
[2,6,6,9-Tetramethyl-5-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylbut-2-enoate
|
163064356 |
Click to see
CC=C(C)C(=O)OC1CC2(C3C(C2C(=O)C=C3C)C(C1OC(=O)C(=CC)C)(C)C)C
|
414.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[2,6,6,9-Tetramethyl-5-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 2-methylbut-2-enoate
|
73809321 |
Click to see
CC=C(C)C(=O)OC1CC2(C3C(CC(=O)C2C3C(C1OC(=O)C(=CC)C)(C)C)C)C
|
416.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[3-Hydroxy-2,6,6,9-tetramethyl-5-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylbut-2-enoate
|
162984439 |
Click to see
CC=C(C)C(=O)OC1C(C2(C3C(C2C(=O)C=C3C)C(C1OC(=O)C(=CC)C)(C)C)C)O
|
430.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[3-Hydroxy-2,6,6,9-tetramethyl-5-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 2-methylbut-2-enoate
|
73820426 |
Click to see
CC=C(C)C(=O)OC1C(C2(C3C(CC(=O)C2C3C(C1OC(=O)C(=CC)C)(C)C)C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 https://doi.org/10.1016/S0040-4020(01)92344-0 |
[3,3,7,9-Tetramethyl-5-(2-methylpropanoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] 2-methylbut-2-enoate
|
163011549 |
Click to see
CC=C(C)C(=O)OC1C(CC2(C3C(C2C(=O)C=C3C)C1(C)C)C)OC(=O)C(C)C
|
402.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[5-Acetyloxy-3,3,7,9-tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 2-methylbut-2-enoate
|
162928009 |
Click to see
CC=C(C)C(=O)OC1C(C(C2(C3C(CC(=O)C2C3C1(C)C)C)C)OC(=O)C(=CC)C)OC(=O)C
|
474.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[5-Hydroxy-2,6,6,9-tetramethyl-3-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 2-methylbut-2-enoate
|
163057615 |
Click to see
CC=C(C)C(=O)OC1C(C(C2C3C(CC(=O)C2C3(C1OC(=O)C(=CC)C)C)C)(C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[5-Hydroxy-3,3,7,9-tetramethyl-6-(2-methylbut-2-enoyloxy)-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 2-methylbut-2-enoate
|
163026176 |
Click to see
CC=C(C)C(=O)OC1C(C(C2(C3C(CC(=O)C2C3C1(C)C)C)C)OC(=O)C(=CC)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
[(1R,2R,3S,4R,5S,7S,8S,9R)-5-hydroxy-2,6,6,9-tetramethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
163057617 |
Click to see
CC=C(C)C(=O)OC1C(C(C2C3C(CC(=O)C2C3(C1OC(=O)C(=CC)C)C)C)(C)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2S,4S,5R,6S,7R,8S,9R)-5-acetyloxy-3,3,7,9-tetramethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
162928010 |
Click to see
CC=C(C)C(=O)OC1C(C(C2(C3C(CC(=O)C2C3C1(C)C)C)C)OC(=O)C(=CC)C)OC(=O)C
|
474.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
[(1R,2S,4S,5R,6S,7R,8S,9R)-5-hydroxy-3,3,7,9-tetramethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-2-methylbut-2-enoate
|
163026177 |
Click to see
CC=C(C)C(=O)OC1C(C(C2(C3C(CC(=O)C2C3C1(C)C)C)C)OC(=O)C(=CC)C)O
|
432.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
|
Chamazulene
|
10719 |
Click to see
CCC1=CC2=C(C=CC2=C(C=C1)C)C
|
184.28 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(7-Acetyloxy-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-11-yl) 2-methylbutanoate
|
14563842 |
Click to see
CCC(C)C(=O)OC1C2C(O2)(C3C1=C(CC(C4C3OC(=O)C4C)OC(=O)C)C)C
|
406.50 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 https://doi.org/10.1016/S0031-9422(00)94482-0 |
[(1S,2S,5R,6R,7R,11R,12R,14S)-11-acetyloxy-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] acetate
|
162992418 |
Click to see
CC1C2C(CC(=C3C(C2OC1=O)C4(C(C3OC(=O)C)O4)C)C)OC(=O)C
|
364.40 |
unknown |
https://doi.org/10.1021/JO00949A038 |
[(1S,2S,5R,6R,7R,11S,12R,14S)-11-acetyloxy-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] acetate
|
101324802 |
Click to see
CC1C2C(CC(=C3C(C2OC1=O)C4(C(C3OC(=O)C)O4)C)C)OC(=O)C
|
364.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
[5,9,14-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-11-yl] 2-methylbutanoate
|
101603202 |
Click to see
CCC(C)C(=O)OC1C2C(O2)(C3C1=C(CC(C4C3OC(=O)C4C)OC(=O)C(=CC)C)C)C
|
446.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94482-0 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Lupenone
|
92158 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C
|
424.70 |
unknown |
via CMAUP database |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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(95)00026-4 |
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 |
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(95)00026-4 |
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 |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
|
Acetic acid, (13-tetradecene-2,4-diynyloxy)-
|
177349 |
Click to see
C=CCCCCCCCC#CC#CCOCC(=O)O
|
262.34 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
> Organoheterocyclic compounds / Benzodioxoles
|
Fagaramide
|
5281772 |
Click to see
CC(C)CNC(=O)C=CC1=CC2=C(C=C1)OCO2
|
247.29 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans
|
Agropyrenone
|
139584616 |
Click to see
CC1C2=C(C(=C(C(=C2OC1=O)O)C)O)C
|
208.21 |
unknown |
https://doi.org/10.1016/0031-9422(95)00026-4 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(9-Hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) acetate
|
3483298 |
Click to see
CC1C2C(CC(=C3C=CC(C3C2OC1=O)(C)O)C)OC(=O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
[(3R,3aS,4R,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
162904254 |
Click to see
CC1C2C(CC(=C3C=CC(C3C2OC1=O)(C)O)C)OC(=O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
[(3S,3aR,4R,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
162904256 |
Click to see
CC1C2C(CC(=C3C=CC(C3C2OC1=O)(C)O)C)OC(=O)C
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80380-2 |
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
|
8-Methoxy-9-methylfuro[2,3-b]quinolin-4(9H)-one
|
927945 |
Click to see
CN1C2=C(C=CC=C2OC)C(=O)C3=C1OC=C3
|
229.23 |
unknown |
via CMAUP database |
Isoskimmianine
|
621199 |
Click to see
CN1C2=C(C=CC(=C2OC)OC)C(=O)C3=C1OC=C3
|
259.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid amides
|
(E)-3-(7-hydroxy-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide
|
44513069 |
Click to see
CC(C)CNC(=O)C=CC1=CC(=C2C(=C1)OCO2)O
|
263.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Hyperoside
|
5281643 |
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)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1021/NP50041A039 |
Quercitrin
|
5280459 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/NP50041A039 |