> Hydrocarbons / Unsaturated hydrocarbons / Enynes
|
1-Tridecene-3,5,7,9,11-pentayne
|
441552 |
Click to see
CC#CC#CC#CC#CC#CC=C
|
162.19 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
1,11-Tridecadien-3,5,7,9-tetrayne
|
528754 |
Click to see
CC=CC#CC#CC#CC#CC=C
|
164.20 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
1,11-Tridecadiene-3,5,7,9-tetrayne
|
5322026 |
Click to see
CC=CC#CC#CC#CC#CC=C
|
164.20 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
1,7,9,15-Heptadecatetraene-11,13-diyne
|
6442686 |
Click to see
CC=CC#CC#CC=CC=CCCCCC=C
|
224.34 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Heptadeca-1,7,9,15-tetraen-11,13-diyne
|
182354 |
Click to see
CC=CC#CC#CC=CC=CCCCCC=C
|
224.34 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatetraenes
|
1,8,11,14-Heptadecatetraene
|
5319559 |
Click to see
CCC=CCC=CCC=CCCCCCC=C
|
232.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Heptadeca-1,8,11,14-tetraene
|
82660 |
Click to see
CCC=CCC=CCC=CCCCCCC=C
|
232.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
[(3S,4E,6E,12E)-3-acetyloxytetradeca-4,6,12-trien-8,10-diynyl] acetate
|
92974046 |
Click to see
CC=CC#CC#CC=CC=CC(CCOC(=O)C)OC(=O)C
|
300.30 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
3-Acetyloxytetradeca-4,6,12-trien-8,10-diynyl acetate
|
85040203 |
Click to see
CC=CC#CC#CC=CC=CC(CCOC(=O)C)OC(=O)C
|
300.30 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Heptadeca-7,9,15-trien-11,13-diynyl acetate
|
162917563 |
Click to see
CC=CC#CC#CC=CC=CCCCCCCOC(=O)C
|
284.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Hexadeca-8,14-dien-10,12-diynyl acetate
|
162967474 |
Click to see
CC=CC#CC#CC=CCCCCCCCOC(=O)C
|
272.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-1-ol
|
15081405 |
Click to see
CC=CC#CC#CC=CC=CCCCCCCO
|
242.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Heptadeca-7,9,15-trien-11,13-diyn-1-ol
|
85626700 |
Click to see
CC=CC#CC#CC=CC=CCCCCCCO
|
242.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
|
(6E,8E,14E)-hexadeca-6,8,14-trien-10,12-diynal
|
14412233 |
Click to see
CC=CC#CC#CC=CC=CCCCCC=O
|
226.31 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diynal
|
14412234 |
Click to see
CC=CC#CC#CC=CC=CCCCCCC=O
|
240.34 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Heptadeca-7,9,15-trien-11,13-diynal
|
85626732 |
Click to see
CC=CC#CC#CC=CC=CCCCCCC=O
|
240.34 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Hexadeca-6,8,14-trien-10,12-diynal
|
85626892 |
Click to see
CC=CC#CC#CC=CC=CCCCCC=O
|
226.31 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one
|
163094915 |
Click to see
CC1=CC(=O)C(CC1)C(C)CCCC(C)CO
|
238.37 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
(E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enal
|
162898309 |
Click to see
CC1=CC(=O)C(CC1)C(C)CCC=C(C)C=O
|
234.33 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
2-Methyl-6-(4-methyl-2-oxocyclohex-3-en-1-yl)hept-2-enal
|
85541470 |
Click to see
CC1=CC(=O)C(CC1)C(C)CCC=C(C)C=O
|
234.33 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
(+)-germacrene D
|
24771782 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-
|
91104 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(8-Hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 2-(hydroxymethyl)prop-2-enoate
|
182407 |
Click to see
C=C1CC(C2C(C3C1CC(C34CO4)O)OC(=O)C2=C)OC(=O)C(=C)CO
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 https://doi.org/10.1016/0031-9422(89)80344-9 |
(8-Hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 2-methylpropanoate
|
162897163 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O
|
348.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
(8-Hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylprop-2-enoate
|
13996678 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
[(3aR,4S,6aR,8S,9R,9aS,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-methylprop-2-enoate
|
101833765 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-methylpropanoate
|
162897164 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O
|
348.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
Aguerin B
|
155102 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, [3aR-(3aalpha,4alpha,6aalpha,9alpha,9aalpha,9bbeta)]-
|
99967 |
Click to see
CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
Cynaropicrin
|
119093 |
Click to see
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
Grosheimin
|
442256 |
Click to see
CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
Janerin
|
14021480 |
Click to see
C=C1CC(C2C(C3C1CC(C34CO4)O)OC(=O)C2=C)OC(=O)C(=C)CO
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 https://doi.org/10.1016/0031-9422(82)80158-1 |
Saupirin
|
181128 |
Click to see
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
610148 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
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/10.1016/0031-9422(82)80158-1 |
Lup-20(29)-en-3beta-ol, acetate
|
323074 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
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/10.1016/0031-9422(82)80158-1 |
Lupeol acetate
|
92157 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Taraxasterol
|
115250 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Taraxasterol acetate
|
13889352 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Taraxasterol, acetate
|
344468 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6S,6'R,7S,8R,9S,12S,13R,16S)-6'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
10748197 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1O
|
871.00 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Organoheterocyclic compounds / Tetrahydrofurans
|
(4R)-4-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohexene-1-carbaldehyde
|
162874355 |
Click to see
CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C=O
|
252.35 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
4-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohexene-1-carbaldehyde
|
15628197 |
Click to see
CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C=O
|
252.35 |
unknown |
https://doi.org/10.1016/0031-9422(89)80344-9 |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
|
1-[2,6-Dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
|
72729466 |
Click to see
CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
2',6'-Dihydroxy-4'-prenyloxychalcone
|
14282634 |
Click to see
CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
|
12017381 |
Click to see
CC1(C=CC2=C(C=C(C(=C2O1)C(=O)C=CC3=CC=C(C=C3)OC)O)OC)C
|
366.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 3-prenylated chalcones
|
1-[2,6-Dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
|
73194187 |
Click to see
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=CC=C2)O)OC)C
|
338.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
2',4',6'-Trihydroxy-3'-c-prenylchalcone
|
73171715 |
Click to see
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=CC=C2)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Desmethylisoxanthohumol
|
11992148 |
Click to see
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=CC=C2)O)C
|
324.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |
Isoxanthohumol(Helichrysum)
|
15410693 |
Click to see
CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=CC=C2)O)OC)C
|
338.40 |
unknown |
https://doi.org/10.1016/0031-9422(82)80158-1 |