> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
|
Benzyl formate
|
7708 |
Click to see
C1=CC=C(C=C1)COC=O
|
136.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
Hentriacontanoic acid pentyl ester
|
21775821 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCC
|
537.00 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Amino fatty acids
|
3-Aminopentanedioic acid
|
73064 |
Click to see
C(C(CC(=O)O)N)C(=O)O
|
147.13 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Palmitic Acid
|
985 |
Click to see
CCCCCCCCCCCCCCCC(=O)O
|
256.42 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
Citronellyl acetate
|
9017 |
Click to see
CC(CCC=C(C)C)CCOC(=O)C
|
198.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Geranyl acetate
|
1549026 |
Click to see
CC(=CCCC(=CCOC(=O)C)C)C
|
196.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Decanol
|
8174 |
Click to see
CCCCCCCCCCO
|
158.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
1-Dodecanol
|
8193 |
Click to see
CCCCCCCCCCCCO
|
186.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
1-Undecanol
|
8184 |
Click to see
CCCCCCCCCCCO
|
172.31 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
1-Tetradecanol
|
8209 |
Click to see
CCCCCCCCCCCCCCO
|
214.39 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
1-Tridecanol
|
8207 |
Click to see
CCCCCCCCCCCCCO
|
200.36 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Cetyl Alcohol
|
2682 |
Click to see
CCCCCCCCCCCCCCCCO
|
242.44 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Stearyl Alcohol
|
8221 |
Click to see
CCCCCCCCCCCCCCCCCCO
|
270.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
|
Heptadecanal
|
71552 |
Click to see
CCCCCCCCCCCCCCCCC=O
|
254.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Hexadecanal
|
984 |
Click to see
CCCCCCCCCCCCCCCC=O
|
240.42 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Octadecanal
|
12533 |
Click to see
CCCCCCCCCCCCCCCCCC=O
|
268.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Pentadecanal
|
17697 |
Click to see
CCCCCCCCCCCCCCC=O
|
226.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Tetradecanal
|
31291 |
Click to see
CCCCCCCCCCCCCC=O
|
212.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Tridecanal
|
25311 |
Click to see
CCCCCCCCCCCCC=O
|
198.34 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
beta-OCIMENE, (3E)-
|
5281553 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Linalool, (+/-)-
|
6549 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
p-CYMENE
|
7463 |
Click to see
CC1=CC=C(C=C1)C(C)C
|
134.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Thymol
|
6989 |
Click to see
CC1=CC(=C(C=C1)C(C)C)O
|
150.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
|
6973628 |
Click to see
CC1=CC(=O)C2CC1C2(C)C
|
150.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
|
12314318 |
Click to see
CC1(C2CC1C(=C)C(C2)O)C
|
152.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
|
64685 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Myrtenal
|
61130 |
Click to see
CC1(C2CC=C(C1C2)C=O)C
|
150.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Pinocarveol
|
102667 |
Click to see
CC1(C2CC1C(=C)C(C2)O)C
|
152.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Sabinen
|
18818 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
trans-Borneol
|
44630107 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Verbenone
|
29025 |
Click to see
CC1=CC(=O)C2CC1C2(C)C
|
150.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(-)-trans-Carveol
|
94221 |
Click to see
CC1=CCC(CC1O)C(=C)C
|
152.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
4-Terpineol, (+/-)-
|
11230 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
alpha-PHELLANDRENE
|
7460 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Alpha-Terpineol
|
17100 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Carveol
|
7438 |
Click to see
CC1=CCC(CC1O)C(=C)C
|
152.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(+)-delta-Cadinene
|
441005 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
92042749 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
|
134779875 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
alpha-Cubebene
|
442359 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
alpha-Muurolene
|
12306047 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
beta-Cubebene
|
93081 |
Click to see
CC1CCC(C2C13C2C(=C)CC3)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Cadina-1(10),4-diene
|
10223 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
|
89316 |
Click to see
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
delta-Elemene
|
12309449 |
Click to see
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
|
91746456 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Alloaromadendren
|
91746537 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Aromadendrene
|
91354 |
Click to see
CC1CCC2C1C3C(C3(C)C)CCC2=C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
Germacrene B
|
5281519 |
Click to see
CC1=CCCC(=CCC(=C(C)C)CC1)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
|
Guaiazulene
|
3515 |
Click to see
CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
|
198.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1R,4R,5S,6S,9R)-9-bromo-4-[[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl]-6-methyl-11-oxatricyclo[4.3.2.01,5]undecan-10-one
|
46703590 |
Click to see
CC1(CC(CCC1Br)(CC2CCC34C2C(CCC3Br)(OC4=O)C)O)C
|
478.30 |
unknown |
via CMAUP database |
[(1R,4R)-4-bromo-1-[[(1R,4R,5S,6S,9R)-9-bromo-6-methyl-10-oxo-11-oxatricyclo[4.3.2.01,5]undecan-4-yl]methyl]-3,3-dimethylcyclohexyl] acetate
|
46703591 |
Click to see
CC(=O)OC1(CCC(C(C1)(C)C)Br)CC2CCC34C2C(CCC3Br)(OC4=O)C
|
520.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(3aR,5Z,9Z,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
|
163003029 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)CO
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
(3aS,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
|
163003031 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)CO
|
264.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
(3aS,5Z,9Z,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
|
163187882 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)CO
|
264.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R)-3-chloro-2-hydroxy-2-methylpropanoate
|
162967858 |
Click to see
CC(CCl)(C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C)O
|
384.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2S)-2-methyloxirane-2-carboxylate
|
163054870 |
Click to see
CC1(CO1)C(=O)OCC2=CCC3C(CC(=CCC2)CO)OC(=O)C3=C
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate
|
163193043 |
Click to see
CC(=O)OCC1=CCCC(=CCC2C(C1)OC(=O)C2=C)COC(=O)C(=C)CO
|
390.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate
|
162996957 |
Click to see
CC(C(C)O)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
364.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R)-3-chloro-2-hydroxy-2-methylpropanoate
|
163190204 |
Click to see
CC(CCl)(C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C)O
|
384.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2S)-2-methyloxirane-2-carboxylate
|
163195050 |
Click to see
CC1(CO1)C(=O)OCC2=CCC3C(CC(=CCC2)CO)OC(=O)C3=C
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2S)-2,3-dihydroxy-2-methylpropanoate
|
162988041 |
Click to see
CC(CO)(C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C)O
|
366.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate
|
16052838 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)COC(=O)C(=C)CO
|
348.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-hydroxy-2-methylpropanoate
|
16056987 |
Click to see
CC(C)(C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C)O
|
350.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylprop-2-enoate
|
162947060 |
Click to see
CC(=C)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylpropanoate
|
162891585 |
Click to see
CC(C)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[10-(Acetyloxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate
|
72729192 |
Click to see
CC(=O)OCC1=CCCC(=CCC2C(C1)OC(=O)C2=C)COC(=O)C(=C)CO
|
390.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate
|
73228195 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)COC(=O)C(=C)CO
|
348.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylprop-2-enoate
|
75012051 |
Click to see
CC(=C)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylpropanoate
|
75012049 |
Click to see
CC(C)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2,3-dihydroxy-2-methylpropanoate
|
162988040 |
Click to see
CC(CO)(C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C)O
|
366.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 3-hydroxy-2-methylbutanoate
|
72729191 |
Click to see
CC(C(C)O)C(=O)OCC1=CCC2C(CC(=CCC1)CO)OC(=O)C2=C
|
364.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
6,10-Bis(hydroxymethyl)-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
|
163003028 |
Click to see
C=C1C2CC=C(CCC=C(CC2OC1=O)CO)CO
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(6R,7S,10R,11S,14R)-2,6,10-Trimethyl-14-[(S)-1-hydroxy-1-methyl-3-(3beta-hydroxy-3,7,7-trimethyl-6beta-bromohexahydrooxepin-2beta-yl)propyl]-2,7:6,11:10,14-triepoxy-3-tetradecene
|
102432674 |
Click to see
CC1(C=CCC2(C(O1)CCC3(C(O2)CCC(O3)C(C)(CCC4C(CCC(C(O4)(C)C)Br)(C)O)O)C)C)C
|
587.60 |
unknown |
via CMAUP database |
Aplysiol C
|
101519535 |
Click to see
CC(=CCCC(C)(C1CCC(O1)(C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O)C
|
571.60 |
unknown |
via CMAUP database |
Aplysiol D
|
46703589 |
Click to see
CC1(C(CCC(O1)(C)C2CCC3(C(O2)CCC(O3)C4(CCC(O4)C(C)(CC=CC(C)(C)O)O)C)C)Br)C
|
587.60 |
unknown |
via CMAUP database |
Aplysiol E
|
101519536 |
Click to see
CC1(C(CCC(O1)(C)C2CCC3(C(O2)CCC(O3)C4(CCC(O4)C(C)(CC(C5C(O5)(C)C)Cl)O)C)C)Br)C
|
622.10 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
|
(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate
|
6992098 |
Click to see
C(CC(C(=O)[O-])[NH3+])CNC(=O)N
|
175.19 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
|
D-Aspartic acid
|
83887 |
Click to see
C(C(C(=O)O)N)C(=O)O
|
133.10 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Kainoids
|
(6'S)-Isodomoic acid G
|
17753955 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Domoic acid
|
5282253 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid A
|
6442601 |
Click to see
CC(=CCC=C(C)C(=O)O)C1CNC(C1CC(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid B
|
6442550 |
Click to see
CC(=CCC=C(C)C(=O)O)C1CNC(C1CC(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid C
|
11301378 |
Click to see
CC(=CCCC(=C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid D
|
6442551 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Isodomoic acid F
|
101790920 |
Click to see
CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
|
311.33 |
unknown |
via CMAUP database |
Kainic acid
|
10255 |
Click to see
CC(=C)C1CNC(C1CC(=O)O)C(=O)O
|
213.23 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
Butanedioate;hydron
|
21952380 |
Click to see
[H+].[H+].C(CC(=O)[O-])C(=O)[O-]
|
118.09 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
|
Glucoibervirin
|
9548638 |
Click to see
CSCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
|
407.50 |
unknown |
https://doi.org/10.1016/0031-9422(89)80046-9 https://doi.org/10.1016/S0031-9422(00)84710-X |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Decanal
|
8175 |
Click to see
CCCCCCCCCC=O
|
156.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Dodecanal
|
8194 |
Click to see
CCCCCCCCCCCC=O
|
184.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Nonanal
|
31289 |
Click to see
CCCCCCCCC=O
|
142.24 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
Undecanal
|
8186 |
Click to see
CCCCCCCCCCC=O
|
170.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Organoheterocyclic compounds / Benzodioxoles
|
Safrole
|
5144 |
Click to see
C=CCC1=CC2=C(C=C1)OCO2
|
162.18 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80558-0 |
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / Hypoxanthines
|
CID 790
|
790 |
Click to see
C1=NC2=C(N1)C(=O)N=CN2
|
136.11 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Oxepanes
|
Micordilin
|
191623 |
Click to see
CC(=O)OCC12CC3C(CC1C(=C)C4OC2C(O4)O)C(=C)C(=O)O3
|
336.30 |
unknown |
https://doi.org/10.1021/JO00430A011 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
51402807 |
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/10.1016/S0031-9422(00)84710-X |