> Alkaloids and derivatives
|
(18,19,21-Triacetyloxy-22,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl)methyl acetate
|
163079560 |
Click to see
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
|
721.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84527-6 |
[(1S,3R,13S,14R,17S,18R,19R,20R,21S,22S,23R,24S,25S)-18,19,21-triacetyloxy-22,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
|
163079561 |
Click to see
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
|
721.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84527-6 |
[(1S,3R,13S,14S,17S,18S,19R,20R,21S,22R,23R,24S,25S)-18,19,21-triacetyloxy-22,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
|
163079562 |
Click to see
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
|
721.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84527-6 |
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
|
(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne
|
5322029 |
Click to see
CC#CC#CC#CC=CC=CC=C
|
166.22 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans
|
Sesamin
|
72307 |
Click to see
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
|
354.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
[(Z)-5-[[(2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoyl]amino]pent-2-enyl] 3-methylbutanoate
|
72696081 |
Click to see
CC(C)CC(=O)OCC=CCCNC(=O)C=CC=CC=CC1=CC=CS1
|
373.50 |
unknown |
via CMAUP database |
Docosanoic acid, pentyl ester
|
22608915 |
Click to see
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCC
|
410.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
|
73349612 |
Click to see
CC(C)CNC(=O)C=CC=CC=CC1=CC=CS1
|
261.40 |
unknown |
via CMAUP database |
(2E,4E,6E)-N-Isopentyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
|
72696080 |
Click to see
CC(C)CCNC(=O)C=CC=CC=CC1=CC=CS1
|
275.40 |
unknown |
via CMAUP database |
(2E,4E,8Z)-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
|
73355665 |
Click to see
CCCCCC=CCCC=CC=CC(=O)NCC(C)C
|
277.40 |
unknown |
via CMAUP database |
(2E,4E)-N-isobutylundeca-2,4-dien-8,10-diynamide
|
5373537 |
Click to see
CC(C)CNC(=O)C=CC=CCCC#CC#C
|
229.32 |
unknown |
via CMAUP database |
2,4-Dodecadienamide, N-(2-methylpropyl)-, (2E,4E)-
|
6443006 |
Click to see
CCCCCCCC=CC=CC(=O)NCC(C)C
|
251.41 |
unknown |
via CMAUP database |
N-(2-methylpropyl)-7-thiophen-2-ylhepta-2,4,6-trienamide
|
71365555 |
Click to see
CC(C)CNC(=O)C=CC=CC=CC1=CC=CS1
|
261.40 |
unknown |
via CMAUP database |
N-Isobutyl-(2E,4E)-tetradecadienamide
|
10731388 |
Click to see
CCCCCCCCCC=CC=CC(=O)NCC(C)C
|
279.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
Hexadeca-2,6,10,14-tetraen-1-ol, 3,7,11,16-tetramethyl-
|
5365865 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
|
290.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(2R,4aS,6aS,6aR,6bS,8aS,9R,11R,12aR,14aR,14bR)-11-hydroxy-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid
|
162935459 |
Click to see
CC1C(=O)C(CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)C)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
11-hydroxy-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid
|
75069535 |
Click to see
CC1C(=O)C(CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)C)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
|
264268 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
via CMAUP database |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
Germanicone
|
21594102 |
Click to see
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
methyl (2R,4aS,6aR,6aS,14aR,14bS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
|
124338899 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
Pristimerin
|
159516 |
Click to see
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
|
464.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
Triptotriterpenic acid A
|
21594203 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)C(=O)O)C)C)C)C
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
> 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 |
via CMAUP database |
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 |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
|
(2R,4aS,6aR,6aR,6bR,8aS,12aS,14aR,14bS)-2,4a,6a,6a,8a,14a-hexamethyl-9-methylidene-3,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
|
163079397 |
Click to see
CC12CCC(CC1C3(CCC4(C(C3(CC2)C)CCC5(C4CC=CC5=C)C)C)C)(C)C(=O)O
|
438.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
2,4a,6a,6a,8a,14a-hexamethyl-9-methylidene-3,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
|
163079396 |
Click to see
CC12CCC(CC1C3(CCC4(C(C3(CC2)C)CCC5(C4CC=CC5=C)C)C)C)(C)C(=O)O
|
438.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
|
(2R,4S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4-hydroxy-2,4a,6a,6a,8a,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1H-picen-3-one
|
162966198 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3CCC5(C4CC=CC5=C)C)C)C)C)(C(C1=O)O)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
4-hydroxy-2,4a,6a,6a,8a,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1H-picen-3-one
|
162966196 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3CCC5(C4CC=CC5=C)C)C)C)C)(C(C1=O)O)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
Tingenin B
|
73147 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C(C1=O)O)C
|
436.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
(6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
|
441687 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C
|
420.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
(6aR,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
|
44559916 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C
|
420.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
3-Hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
|
3527193 |
Click to see
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C
|
420.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89810-6 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one
|
3009228 |
Click to see
CC(C)CC(=O)C1=C(C=CC(=C1)C(=O)C)OC
|
234.29 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Piperidines / N-acylpiperidines
|
(2E,4E,8Z)-1-Piperidino-2,4,8-tetradecatriene-1-one
|
11173777 |
Click to see
CCCCCC=CCCC=CC=CC(=O)N1CCCCC1
|
289.50 |
unknown |
via CMAUP database |
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
|
11130083 |
Click to see
CCCCCCCCCC=CC=CC(=O)N1CCCCC1
|
291.50 |
unknown |
via CMAUP database |
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
|
11821786 |
Click to see
C1CCN(CC1)C(=O)C=CC=CC=CC2=CC=CS2
|
273.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Tetrahydropyridines
|
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)-7-thiophen-2-ylhepta-2,4,6-trien-1-one
|
73346583 |
Click to see
C1CC=CN(C1)C(=O)C=CC=CC=CC2=CC=CS2
|
271.40 |
unknown |
via CMAUP database |
(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)undeca-2,4-dien-8,10-diyn-1-one
|
14427416 |
Click to see
C#CC#CCCC=CC=CC(=O)N1CCCC=C1
|
239.31 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]methyl 3-methylbutanoate
|
72696082 |
Click to see
CC(C)CC(=O)OCC1C(OC2=C1C=C(C=C2OC)C=CC=O)C3=CC(=C(C=C3)O)OC
|
440.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
5-Hydroxy-3',4',6,7-tetramethoxyflavone
|
152430 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
|
358.30 |
unknown |
via CMAUP database |
Umuhengerin
|
73648 |
Click to see
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
|
388.40 |
unknown |
via CMAUP database |