> Alkaloids and derivatives / Lupin alkaloids / Lupinine-type alkaloids
|
2H-Quinolizine-1-methanol, octahydro-, (1S-cis)-
|
6432467 |
Click to see
C1CCN2CCCC(C2C1)CO
|
169.26 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Lupin alkaloids / Matrine alkaloids
|
Isomatrine
|
5271984 |
Click to see
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
|
248.36 |
unknown |
via CMAUP database |
> Benzenoids / Anthracenes
|
2,6,8-trihydroxy-1-methoxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
|
11968593 |
Click to see
COC1=C(C=CC2=C1C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)O)O
|
434.40 |
unknown |
via CMAUP database |
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
|
Damnacanthal
|
2948 |
Click to see
COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O
|
282.25 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
Propyl Benzoate
|
16846 |
Click to see
CCCOC(=O)C1=CC=CC=C1
|
164.20 |
unknown |
https://doi.org/10.1021/JF011064B |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
|
Benzoic Acid
|
243 |
Click to see
C1=CC=C(C=C1)C(=O)O
|
122.12 |
unknown |
https://doi.org/10.1021/JF011064B |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
(3,4-Dihydroxybenzoyl) 3,4-dihydroxybenzoate
|
25064624 |
Click to see
C1=CC(=C(C=C1C(=O)OC(=O)C2=CC(=C(C=C2)O)O)O)O
|
290.22 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
https://doi.org/10.1055/S-0028-1100041 https://doi.org/10.1021/JF011064B |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
3,5-Dihydroxy-4-methoxybenzoic acid
|
78016 |
Click to see
COC1=C(C=C(C=C1O)C(=O)O)O
|
184.15 |
unknown |
https://doi.org/10.1016/0031-9422(88)80189-4 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
|
Gallic Acid
|
370 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)O
|
170.12 |
unknown |
https://doi.org/10.1055/S-0028-1100041 https://doi.org/10.1016/J.BMC.2014.02.014 https://doi.org/10.1021/JF011064B |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
Ethyl gallate
|
13250 |
Click to see
CCOC(=O)C1=CC(=C(C(=C1)O)O)O
|
198.17 |
unknown |
via CMAUP database |
Methyl gallate
|
7428 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)O)O
|
184.15 |
unknown |
https://doi.org/10.1021/JF011064B |
Propyl gallate
|
4947 |
Click to see
CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
|
212.20 |
unknown |
https://doi.org/10.1021/JF011064B |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
|
Benzoic acid, 2-hydroxy-6-tetradecyl-
|
5318118 |
Click to see
CCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
|
334.50 |
unknown |
via CMAUP database |
Salicylic Acid
|
338 |
Click to see
C1=CC=C(C(=C1)C(=O)O)O
|
138.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Diphenylmethanes
|
N-(4-{4-[(aminocarbonyl)amino]benzyl}phenyl)urea
|
318591 |
Click to see
C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)N)NC(=O)N
|
284.31 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
|
2-(4-Methylphenyl)propan-2-ol
|
14529 |
Click to see
CC1=CC=C(C=C1)C(C)(C)O
|
150.22 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Benzenoids / Benzene and substituted derivatives / Toluenes
|
Toluene
|
1140 |
Click to see
CC1=CC=CC=C1
|
92.14 |
unknown |
https://doi.org/10.1021/JF00063A015 |
> Benzenoids / Benzene and substituted derivatives / Xylenes / m-Xylenes
|
m-Xylene
|
7929 |
Click to see
CC1=CC(=CC=C1)C
|
106.16 |
unknown |
https://doi.org/10.1021/JF00063A015 |
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
|
P-Xylene
|
7809 |
Click to see
CC1=CC=C(C=C1)C
|
106.16 |
unknown |
https://doi.org/10.1021/JF00063A015 |
> Benzenoids / Phenols / Benzenediols / Resorcinols
|
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol
|
14235913 |
Click to see
CCCCCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
|
344.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.10.013 |
5-(Heptadec-12-enyl)resorcinol
|
5281859 |
Click to see
CCCCC=CCCCCCCCCCCCC1=CC(=CC(=C1)O)O
|
346.50 |
unknown |
via CMAUP database |
5-[(E)-heptadec-12-enyl]benzene-1,3-diol
|
5318012 |
Click to see
CCCCC=CCCCCCCCCCCCC1=CC(=CC(=C1)O)O
|
346.50 |
unknown |
via CMAUP database |
5-[(Z)-heptadec-11-enyl]benzene-1,3-diol
|
24802634 |
Click to see
CCCCCC=CCCCCCCCCCCC1=CC(=CC(=C1)O)O
|
346.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.10.013 |
5-Heptadec-11-enylbenzene-1,3-diol
|
74319476 |
Click to see
CCCCCC=CCCCCCCCCCCC1=CC(=CC(=C1)O)O
|
346.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.10.013 |
5-Heptadeca-8,11-dienylbenzene-1,3-diol
|
54047301 |
Click to see
CCCCCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
|
344.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.10.013 |
5-Pentadecylresorcinol
|
76617 |
Click to see
CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
|
320.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1016/0885-5765(87)90041-5 https://doi.org/10.1016/S0048-4059(86)80019-4 |
> Benzenoids / Phenols / Methoxyphenols
|
Capsaicin
|
1548943 |
Click to see
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
|
305.40 |
unknown |
via CMAUP database |
threo-Guaiacylglycerol
|
11063784 |
Click to see
COC1=C(C=CC(=C1)C(C(CO)O)O)O
|
214.21 |
unknown |
via CMAUP database |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Hentriacontane
|
12410 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
436.80 |
unknown |
https://doi.org/10.1021/JF60168A010 |
Heptacosane
|
11636 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCC
|
380.70 |
unknown |
https://doi.org/10.1021/JF60168A010 |
Hexacontane
|
24318 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
843.60 |
unknown |
via CMAUP database |
Nonacosane
|
12409 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
408.80 |
unknown |
https://doi.org/10.1021/JF60168A010 |
Pentacosane
|
12406 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCC
|
352.70 |
unknown |
https://doi.org/10.1021/JF60168A010 |
Triacontane
|
12535 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
422.80 |
unknown |
via CMAUP database |
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
|
Cyclohexane
|
8078 |
Click to see
C1CCCCC1
|
84.16 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
|
(7Z,9E)-heptadeca-1,7,9-trien-11,13,15-triyne
|
5318013 |
Click to see
CC#CC#CC#CC=CC=CCCCCC=C
|
222.32 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
2-Butenoic acid, ethyl ester
|
12191 |
Click to see
CCOC(=O)C=CC
|
114.14 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl butyrate
|
7762 |
Click to see
CCCC(=O)OCC
|
116.16 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl Decanoate
|
8048 |
Click to see
CCCCCCCCCC(=O)OCC
|
200.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Ethyl Dodecanoate
|
7800 |
Click to see
CCCCCCCCCCCC(=O)OCC
|
228.37 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Ethyl hexanoate
|
31265 |
Click to see
CCCCCC(=O)OCC
|
144.21 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl Myristate
|
31283 |
Click to see
CCCCCCCCCCCCCC(=O)OCC
|
256.42 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl octanoate
|
7799 |
Click to see
CCCCCCCC(=O)OCC
|
172.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Ethyl palmitate
|
12366 |
Click to see
CCCCCCCCCCCCCCCC(=O)OCC
|
284.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
|
Methyl butyrate
|
12180 |
Click to see
CCCC(=O)OC
|
102.13 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
7-Hexadecenoic acid
|
543268 |
Click to see
CCCCCCCCC=CCCCCCC(=O)O
|
254.41 |
unknown |
https://doi.org/10.1007/BF02541638 |
9-Eicosenoic acid
|
94159 |
Click to see
CCCCCCCCCCC=CCCCCCCCC(=O)O
|
310.50 |
unknown |
https://doi.org/10.1007/BF02541638 |
9-Hexadecenoic acid
|
4668 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
https://doi.org/10.1007/BF02541638 |
Arachidic Acid
|
10467 |
Click to see
CCCCCCCCCCCCCCCCCCCC(=O)O
|
312.50 |
unknown |
https://doi.org/10.1007/BF02541638 |
Elaidic Acid
|
637517 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1007/BF02541638 |
Heptadecanoic acid
|
10465 |
Click to see
CCCCCCCCCCCCCCCCC(=O)O
|
270.50 |
unknown |
https://doi.org/10.1007/BF02541638 |
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(03)00466-7 |
Nonadecanoic acid
|
12591 |
Click to see
CCCCCCCCCCCCCCCCCCC(=O)O
|
298.50 |
unknown |
https://doi.org/10.1007/BF02541638 |
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 https://doi.org/10.1016/S0031-9422(00)81560-5 |
Palmitic Acid
|
985 |
Click to see
CCCCCCCCCCCCCCCC(=O)O
|
256.42 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1021/JF60230A024 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(03)00466-7 |
Palmitoleic Acid
|
445638 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 https://doi.org/10.1021/JF60230A024 |
Pentadecanoic Acid
|
13849 |
Click to see
CCCCCCCCCCCCCCC(=O)O
|
242.40 |
unknown |
https://doi.org/10.1007/BF02541638 |
Stearic Acid
|
5281 |
Click to see
CCCCCCCCCCCCCCCCCC(=O)O
|
284.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 https://doi.org/10.1007/BF02541638 |
Tridecanoic acid
|
12530 |
Click to see
CCCCCCCCCCCCC(=O)O
|
214.34 |
unknown |
https://doi.org/10.1007/BF02541638 |
Vaccenic acid, cis-
|
5282761 |
Click to see
CCCCCCC=CCCCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
(3E,9E)-undeca-3,9-dienoic acid
|
52914864 |
Click to see
CC=CCCCCC=CCC(=O)O
|
182.26 |
unknown |
via CMAUP database |
Lauric Acid
|
3893 |
Click to see
CCCCCCCCCCCC(=O)O
|
200.32 |
unknown |
https://doi.org/10.1007/BF02541638 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
|
Butyric Acid
|
264 |
Click to see
CCCC(=O)O
|
88.11 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
Hexadecyl acetate
|
12393 |
Click to see
CCCCCCCCCCCCCCCCOC(=O)C
|
284.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Hexanol
|
8103 |
Click to see
CCCCCCO
|
102.17 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
1-Octacosanol
|
68406 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
|
410.80 |
unknown |
https://doi.org/10.1021/JF60168A010 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
|
Hexadecanal
|
984 |
Click to see
CCCCCCCCCCCCCCCC=O
|
240.42 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Octadecanal
|
12533 |
Click to see
CCCCCCCCCCCCCCCCCC=O
|
268.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Pentadecanal
|
17697 |
Click to see
CCCCCCCCCCCCCCC=O
|
226.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
Elaidolinolenic acid
|
5282822 |
Click to see
CCC=CCC=CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1016/S0031-9422(03)00466-7 |
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 https://doi.org/10.1016/S0031-9422(00)81560-5 |
Linolenic Acid
|
5280934 |
Click to see
CCC=CCC=CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1016/S0031-9422(03)00466-7 |
> Lipids and lipid-like molecules / Glycerolipids / Diradylglycerols / Diacylglycerols / 1,2-diacylglycerols
|
[(2S)-3-hydroxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
|
6505653 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC
|
621.00 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Diradylglycerols / Diacylglycerols / 1,3-diacylglycerols
|
1,3-Dielaidin
|
5316908 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O
|
621.00 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
|
(2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate
|
11451146 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
|
356.50 |
unknown |
via CMAUP database |
Glyceryl monooleate
|
5283468 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
|
356.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 2-monoacylglycerols
|
2-Monoolein
|
5319879 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
|
356.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
(4R,14R)-14-(chloromethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
|
24893863 |
Click to see
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(CCl)O)C)C
|
324.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Hopanoids
|
(3S,3aS,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol
|
14314555 |
Click to see
CC1(C2CCC3(C(C2(C(CC1O)O)C)CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
3-(2-Hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol
|
14314554 |
Click to see
CC1(C2CCC3(C(C2(C(CC1O)O)C)CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
beta-Ocimene, (3Z)-
|
5320250 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Citral
|
638011 |
Click to see
CC(=CCCC(=CC=O)C)C
|
152.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
> 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/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
|
6451618 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
2-Carene
|
79044 |
Click to see
CC1=CC2C(C2(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
3-Carene
|
26049 |
Click to see
CC1=CCC2C(C1)C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
alpha-Fenchene
|
28930 |
Click to see
CC1(C2CCC1C(=C)C2)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 |
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
|
17868 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
Sabinen
|
18818 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
alpha-PHELLANDRENE
|
7460 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 |
alpha-Terpinene
|
7462 |
Click to see
CC1=CC=C(CC1)C(C)C
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Beta-Phellandrene
|
11142 |
Click to see
CC(C)C1CCC(=C)C=C1
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Carveol
|
7438 |
Click to see
CC1=CCC(CC1O)C(=C)C
|
152.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds
|
Vitamin e succinate
|
20353 |
Click to see
CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)O)C
|
530.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(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/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1016/0031-9422(88)80124-9 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
Aubergenone
|
15601418 |
Click to see
CC1C2CC(CCC2(C=CC1=O)C)C(C)(C)O
|
236.35 |
unknown |
via CMAUP database |
gamma-EUDESMOL
|
6432005 |
Click to see
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1021/JF0402633 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
(4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
|
392170 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
|
500344 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Epitaraxerol
|
344467 |
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/10.1016/J.BBAGEN.2009.12.002 |
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/10.1016/J.BBAGEN.2009.12.002 |
Taraxerone
|
92785 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)83042-3 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
102058355 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)83042-3 |
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
162995360 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(CO)O)C)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 |
20,24-Epoxy-25,26-dihydroxydammaran-3-one
|
131752707 |
Click to see
CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(CO)O)C)C)C)C
|
474.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 |
3-Epicabraleadiol
|
21575463 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83042-3 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids
|
(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
134781708 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C3C=C4C(CC(CC4(O3)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1021/JF9702860 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
Beta-Carotene
|
5280489 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1021/JF9702860 https://doi.org/10.1016/S0031-9422(03)00466-7 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
12358665 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
(1R,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
53477762 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
(1R)-3,5,5-trimethyl-4-[(1E,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
|
101088204 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1021/JF9702860 |
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
|
44481270 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
(3S)-beta-Cryptoxanthin
|
44554791 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
552.90 |
unknown |
via CMAUP database |
(5S,6R)-beta-carotene 5,6-epoxide
|
9548874 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C
|
552.90 |
unknown |
via CMAUP database |
2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
101526841 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 |
2,2,6-trimethyl-1-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane
|
5315711 |
Click to see
CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C)(C)C
|
552.90 |
unknown |
via CMAUP database |
9-cis-Violaxanthin
|
5282218 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1021/JF9702860 |
cis-Violaxanthin
|
6442428 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 |
Cryptoxanthin
|
5281235 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1021/JF9702860 |
Neochrome
|
101526842 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/S0031-9422(03)00466-7 |
Violaxanthin
|
448438 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1021/JF960276J https://doi.org/10.1021/JF9702860 https://doi.org/10.1016/S0031-9422(03)00466-7 |
Zeaxanthin
|
5280899 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
https://doi.org/10.1021/JF960276J |
Zeaxanthin, (3S,3'S)-
|
21772452 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
|
10478653 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)O)C
|
444.70 |
unknown |
via CMAUP database |
(1S,2S,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
|
14313598 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)O)C
|
444.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(1S,3R,8S,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane
|
162959957 |
Click to see
CC1CC(C2(C1C3CCC4C(CCCC45C3(C5)CC2)(C)C)C)C(C)CCC=C(C)C
|
410.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
10836206 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
|
12358398 |
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)97767-7 |
(4aR,6aR,6aR,6bR,8aS,11S,12S,12aS,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
|
101290252 |
Click to see
CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
|
17751007 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C
|
442.70 |
unknown |
via CMAUP database |
(E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
162939569 |
Click to see
CC1CC(C2(C1C3CCC4C(C(=O)CCC45C3(C5)CC2)(C)C)C)C(C)CCC=C(C)C(=O)O
|
454.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(E,6R)-6-[(1S,3R,6S,8R,11S,12S,13S,15R,16R)-6-hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
162945699 |
Click to see
CC1CC(C2(C1C3CCC4C(C(CCC45C3(C5)CC2)O)(C)C)C)C(C)CCC=C(C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(Z)-2-(hydroxymethyl)-6-[(1S,3R,15R,16R)-7,7,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
5318258 |
Click to see
CC(CCC=C(CO)C(=O)O)C1CCC2C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C
|
456.70 |
unknown |
via CMAUP database |
[(1S,2S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1R,2R,3R,7R,10S,11R,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
|
163185813 |
Click to see
CC(C)C1CCC2(C3CCC45C3NC1C2(C4CCC5)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
|
513.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(00)94842-8 |
[(1S,3aR,5aR,5bS,7aR,9S,11aS,11bR,13aS,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
|
11908310 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
via CMAUP database |
2-Methyl-6-(7,7,13,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
|
162939568 |
Click to see
CC1CC(C2(C1C3CCC4C(C(=O)CCC45C3(C5)CC2)(C)C)C)C(C)CCC=C(C)C(=O)O
|
454.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
225688 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(98)00656-6 |
6-(6-Hydroxy-7,7,13,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
|
162945698 |
Click to see
CC1CC(C2(C1C3CCC4C(C(CCC45C3(C5)CC2)O)(C)C)C)C(C)CCC=C(C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
7,7,13,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane
|
162959956 |
Click to see
CC1CC(C2(C1C3CCC4C(CCCC45C3(C5)CC2)(C)C)C)C(C)CCC=C(C)C
|
410.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
9,19-Cyclolanostan-28-ol, (4beta)-
|
101670839 |
Click to see
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCCC5(C)CO)C)C
|
428.70 |
unknown |
via CMAUP database |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 |
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)95020-9 https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)97767-7 |
Dammaradienol
|
13893946 |
Click to see
CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
Dammarenediol-I
|
441675 |
Click to see
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)O)C
|
444.70 |
unknown |
via CMAUP database |
Epifriedelanol
|
119242 |
Click to see
CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)94842-8 |
Erythrodiol
|
101761 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C
|
442.70 |
unknown |
via CMAUP database |
Friedelan-3-one
|
244297 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(98)00656-6 |
Friedelanol
|
348029 |
Click to see
CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
|
428.70 |
unknown |
https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)94842-8 |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1016/S0031-9422(00)97767-7 |
Friedelinol
|
101341 |
Click to see
CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 |
gamma-Taraxastane-3,20-diol
|
14313597 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)O)C
|
444.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
gamma-Taraxastanonol
|
14357350 |
Click to see
CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Germanicol
|
122857 |
Click to see
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
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/10.1007/BF02541638 |
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 |
via CMAUP database |
methyl (4aS,6aS,6bR,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
10028395 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)OC)C
|
486.70 |
unknown |
via CMAUP database |
Olean-12-en-3beta-ol
|
225689 |
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)97767-7 https://doi.org/10.1016/S0031-9422(98)00656-6 |
Oleanolic aldehyde
|
10321055 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C
|
440.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
|
Cholesterol
|
5997 |
Click to see
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
386.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
Lophenol
|
160482 |
Click to see
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)O
|
400.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
|
[(3S,8R,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
5316234 |
Click to see
CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)OC(=O)C)C)C(C)CCCC(C)C)C
|
486.80 |
unknown |
via CMAUP database |
[(3S,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
5316235 |
Click to see
CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C(C)CCCC(C)C)C
|
620.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
|
(1S,3R,6S,15R,16R)-15-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
5319721 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
via CMAUP database |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
124928655 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-(hydroxymethyl)hept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
163034995 |
Click to see
CC(CCCC(=C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R,6R)-7-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
162945131 |
Click to see
CC(CC=CC(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
21599950 |
Click to see
CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
via CMAUP database |
(1S,3R,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
12305362 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83042-3 |
(23R)-3-Oxo-23-hydroxycycloarta-24-ene-26-oic acid
|
101881652 |
Click to see
CC(CC(C=C(C)C(=O)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
470.70 |
unknown |
via CMAUP database |
(24R)-Cycloarta-25-ene-3beta,24-diol
|
14313591 |
Click to see
CC(CCC(C(=C)C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
via CMAUP database |
(24S)-Cycloartane-3|A,24,25-triol
|
14314549 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)94842-8 |
(25S)-24-Methylene-26-hydroxy-5alpha-cycloartan-3-one
|
100966504 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
via CMAUP database |
(25S)-26-Hydroxy-24-methylenecycloartan-3-one
|
78385389 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
(2R,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptanoic acid
|
101286241 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
470.70 |
unknown |
via CMAUP database |
(2R)-2-methyl-3-methylidene-6-[(1S,3R,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoic acid
|
5317860 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
468.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(2R)-6-[(1S,3R,6S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptanoic acid
|
5317854 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
470.70 |
unknown |
via CMAUP database |
(2S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptanoic acid
|
163185187 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
470.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
145925700 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(00)95020-9 |
(E,4R,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
100966505 |
Click to see
CC(CC(C=C(C)C(=O)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)97767-7 |
(E,4S,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
100966506 |
Click to see
CC(CC(C=C(C)C(=O)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
via CMAUP database |
(E,5R,6S)-5-hydroxy-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
162937479 |
Click to see
CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(CC=C(C)C(=O)O)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(00)94842-8 |
(E,5R,6S)-5-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
162937480 |
Click to see
CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(CC=C(C)C(=O)O)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
14314564 |
Click to see
CC(CCC=C(CO)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecanyl]hept-2-enoic acid
|
72729875 |
Click to see
CC(CCC=C(CO)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
(E,6R)-6-[(1S,3R,6S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
145999601 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(00)83042-3 |
(Z)-2-methyl-6-[(3R,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
5319261 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1016/S0040-4039(00)90194-1 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(00)94842-8 |
(Z)-6-[(3R,6S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
5319260 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
via CMAUP database |
[6-[(1S,3R,6S,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptyl] 2-methyl-3-methylidene-6-[(1S,3R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoate
|
5319722 |
Click to see
CC(CCC(=C)C(C)COC(=O)C(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)C6CCC7(C6(CCC89C7CCC1C8(C9)CCC(C1(C)C)O)C)C
|
907.40 |
unknown |
via CMAUP database |
15-(7-Hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
14314543 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
15-(7-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
162945130 |
Click to see
CC(CC=CC(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
15-(7-Hydroxy-6-methylhept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
162993773 |
Click to see
CC(CCC=C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
15-[6-(Hydroxymethyl)hept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
163034994 |
Click to see
CC(CCCC(=C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
2-Methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
|
72726484 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(98)00656-6 |
24-Methylene-26-hydroxy-5alpha-cycloartan-3-one
|
10623623 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
via CMAUP database |
24-Methylenecycloartanol
|
94204 |
Click to see
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(98)00656-6 |
24-Methylenecycloartanone
|
14635659 |
Click to see
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
25-Hydroxycycloartanol
|
14314547 |
Click to see
CC(CCCC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
444.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
27-Hydroxymangiferolic acid
|
45269256 |
Click to see
CC(CCC=C(CO)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
via CMAUP database |
27-Hydroxymangiferonic acid
|
45270932 |
Click to see
CC(CCC=C(CO)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
470.70 |
unknown |
via CMAUP database |
28-Hydroxymangiferonic acid
|
45270931 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)CO)C)C
|
470.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 |
3beta-24-Methylenecycloartan-3-ol
|
544165 |
Click to see
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
3beta-Cycloartane-3,25-diol
|
565447 |
Click to see
CC(CCCC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
444.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
3beta-Hydroxycycloart-24-en-27-al
|
14314541 |
Click to see
CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
4-Hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
|
72729874 |
Click to see
CC(CC(C=C(C)C(=O)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)97767-7 |
5-Hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
|
72729873 |
Click to see
CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(CC=C(C)C(=O)O)O
|
472.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(00)94842-8 |
6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enal
|
72729872 |
Click to see
CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
|
72726483 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
6-[7-(Hydroxymethyl)-7,12,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
75107682 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)CO)C)C
|
470.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 |
9,19-Cyclo-9beta-lanost-24-en-3beta-ol
|
500213 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
9,19-Cyclolanost-24-en-3-ol, acetate, (3beta)-
|
518616 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
9,19-Cyclolanost-24-ene-3,26-diol, (3beta)-
|
134694294 |
Click to see
CC(CCC=C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
9,19-Cyclolanostan-3-one, 26-hydroxy-24-methylene-, (25R)-
|
162891806 |
Click to see
CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Ambolic acid
|
78385010 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
470.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Ambonic acid
|
101286242 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
468.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)83042-3 |
Ambonic acid
|
78385012 |
Click to see
CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
468.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
CID 348093
|
348093 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)97767-7 |
CID 634880
|
634880 |
Click to see
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
CID 9547213
|
9547213 |
Click to see
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1007/BF02541638 |
Cycloart-23-ene-3beta,25-diol
|
5470009 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
via CMAUP database |
Cycloart-23-ene-3I(2),25-diol
|
393626 |
Click to see
CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
442.70 |
unknown |
via CMAUP database |
Cycloartane-3,24,25-triol
|
14314548 |
Click to see
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
460.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(98)00656-6 |
Cycloartenol
|
92110 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(98)00656-6 |
Cycloartenol acetate
|
13023741 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97767-7 |
Cycloartenone
|
12305360 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Cyclobranol
|
13920164 |
Click to see
CC(CCC(=C(C)C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
Cyclosadol
|
12312851 |
Click to see
CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
Isomangiferolic Acid
|
14034468 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Mangiferolic Acid
|
45270099 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
Mangiferonic Acid
|
14034474 |
Click to see
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1016/S0040-4039(00)90194-1 https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)83042-3 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
134766514 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
24-Methylenelophenol
|
5283640 |
Click to see
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(=C)C(C)C)C)C)O
|
412.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
5-Cholestene-3-ol, 24-methyl-
|
312822 |
Click to see
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
400.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
Obtusifoliol
|
65252 |
Click to see
CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
|
Pregnenolone
|
8955 |
Click to see
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
|
316.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80189-4 |
Progesterone
|
5994 |
Click to see
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
|
314.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80189-4 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3S,10R,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
23724575 |
Click to see
CC=C(CCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C
|
410.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
(6beta,24R)-6-Hydroxystigmast-4-en-3-one
|
14769504 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)O)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
|
13964296 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)C(C)C
|
432.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81560-5 https://doi.org/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1007/BF02541638 https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 |
6beta-Hydroxystigmast-4-en-3-one
|
9823926 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)O)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00656-6 |
alpha1-Sitosterol
|
9548595 |
Click to see
CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C
|
426.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
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/10.1016/S0031-9422(00)94842-8 https://doi.org/10.1016/S0031-9422(98)00656-6 https://doi.org/10.1016/S0031-9422(00)97767-7 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
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 |
https://doi.org/10.1016/S0031-9422(00)95020-9 |
Delta7-Avenasterol
|
12795736 |
Click to see
CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1007/BF02541638 |
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 |
https://doi.org/10.1016/S0031-9422(00)95020-9 |
Stigmastane-3,6-diol
|
12070151 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)C(C)C
|
432.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94842-8 |
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/10.1007/BF02541638 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
|
CID 6037
|
6037 |
Click to see
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
|
441.40 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
Butyl Acetate
|
31272 |
Click to see
CCCCOC(=O)C
|
116.16 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Butyl formate
|
11614 |
Click to see
CCCCOC=O
|
102.13 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl Acetate
|
8857 |
Click to see
CCOC(=O)C
|
88.11 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Ethyl propionate
|
7749 |
Click to see
CCC(=O)OCC
|
102.13 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
sec-Butyl formate
|
79049 |
Click to see
CCC(C)OC=O
|
102.13 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron
|
88113319 |
Click to see
[H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O
|
192.12 |
unknown |
via CMAUP database |
Citric Acid
|
311 |
Click to see
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
|
192.12 |
unknown |
https://doi.org/10.3136/FSTR.6.299 |
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
|
Malic Acid
|
525 |
Click to see
C(C(C(=O)O)O)C(=O)O
|
134.09 |
unknown |
https://doi.org/10.3136/FSTR.6.299 |
> Organic nitrogen compounds / Organonitrogen compounds / Organic cyanides / Nitriles
|
Hydrogen Cyanide
|
768 |
Click to see
C#N
|
27.03 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
Theogallin
|
442988 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O
|
344.27 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
|
2-Methyl-1-butanol
|
8723 |
Click to see
CCC(C)CO
|
88.15 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Isoamyl alcohol
|
31260 |
Click to see
CC(C)CCO
|
88.15 |
unknown |
https://doi.org/10.1021/JF00063A015 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
|
102076688 |
Click to see
C1=CC(=CC=C1C(=O)OC2C(C(C(OC2C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
|
696.60 |
unknown |
via CMAUP database |
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2,3,6-tris-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
|
101352486 |
Click to see
C1=CC(=C(C=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O
|
880.70 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[6-O-(4-hydroxybenzoyl)-2-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone
|
102076687 |
Click to see
C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
|
696.60 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
[(2S,3S,5S)-2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
162983204 |
Click to see
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
574.50 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
[(2S,3S,5S)-2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
|
163007508 |
Click to see
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O
|
542.50 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
[2,6-dihydroxy-4-methoxy-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
|
162974267 |
Click to see
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
438.40 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
[2,6-dihydroxy-4-methoxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-hydroxy-3-methoxyphenyl)methanone
|
46206549 |
Click to see
COC1=C(C=CC(=C1)C(=O)C2=C(C(=C(C=C2O)OC)C3C(C(C(C(O3)CO)O)O)O)O)O
|
452.40 |
unknown |
via CMAUP database |
[2,6-dihydroxy-4-methoxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-hydroxyphenyl)methanone
|
46206548 |
Click to see
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)C3C(C(C(C(O3)CO)O)O)O
|
422.40 |
unknown |
via CMAUP database |
[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone
|
102082135 |
Click to see
C1=CC(=CC=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
|
712.60 |
unknown |
via CMAUP database |
[3,6-dihydroxy-4-methoxy-2-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-(4-hydroxyphenyl)methanone
|
162860804 |
Click to see
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
438.40 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone
|
75169766 |
Click to see
C1=CC(=C(C=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O
|
424.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)
|
131751521 |
Click to see
C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
|
696.60 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
Maclurin 3-C-(2'',3'',6''-trigalloylglucoside)
|
131751270 |
Click to see
C1=CC(=C(C=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O
|
880.70 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
Maclurin 3-C-beta-glucoside
|
101538363 |
Click to see
C1=CC(=C(C=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O
|
424.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
methyl 2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
|
11719269 |
Click to see
COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
|
446.40 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
|
2,3-di-O-methyl-alpha-D-glucopyranose
|
14211992 |
Click to see
COC1C(C(OC(C1OC)O)CO)O
|
208.21 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
(2S,3R,4S,5S,6R)-3,5-dimethoxy-6-(methoxymethyl)oxane-2,4-diol
|
13887303 |
Click to see
COCC1C(C(C(C(O1)O)OC)O)OC
|
222.24 |
unknown |
via CMAUP database |
2,3,4,6-Tetra-O-methyl-alpha-D-glucose
|
111162 |
Click to see
COCC1C(C(C(C(O1)O)OC)OC)OC
|
236.26 |
unknown |
via CMAUP database |
2,3,6-Tri-O-methyl-beta-D-glucopyranose
|
448683 |
Click to see
COCC1C(C(C(C(O1)O)OC)OC)O
|
222.24 |
unknown |
via CMAUP database |
alpha-D-GALACTOSE
|
439357 |
Click to see
C(C1C(C(C(C(O1)O)O)O)O)O
|
180.16 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
(2R,3S,4R,5R,6S)-2-[(2S,3S,4R,5S,6S)-2-[(1E,5E,10R)-11-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,10-trimethylundeca-1,5-dienoxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
|
162941191 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)C)O)O)O)OC=C(C)CCC=C(C)CCCC(C)COC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C)O)O)O)CO)O)O)O)O
|
989.10 |
unknown |
https://doi.org/10.1021/JF9702860 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
|
L-Tartaric acid
|
444305 |
Click to see
C(C(C(=O)O)O)(C(=O)O)O
|
150.09 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
|
5-Methylfurfural
|
12097 |
Click to see
CC1=CC=C(O1)C=O
|
110.11 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
Furfural
|
7362 |
Click to see
C1=COC(=C1)C=O
|
96.08 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Hexanal
|
6184 |
Click to see
CCCCCC=O
|
100.16 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00063A015 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
|
2-Acetylfuran
|
14505 |
Click to see
CC(=O)C1=CC=CO1
|
110.11 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
(2E,4E,6E,8R,10R,12E,14R)-N-[(2S)-1-hydroxy-3-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
|
162961897 |
Click to see
CCC(C)C=C(C)CC(C)CC(C)C=CC=CC=CC(=O)NC(CC1(C2C(O2)C=CC1=O)O)CO
|
485.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95020-9 https://doi.org/10.1016/S0031-9422(00)97767-7 https://doi.org/10.1016/S0031-9422(00)83042-3 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
4'-Methylacetophenone
|
8500 |
Click to see
CC1=CC=C(C=C1)C(=O)C
|
134.17 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 |
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
|
2-Methoxy-1-propanol
|
14846 |
Click to see
CC(CO)OC
|
90.12 |
unknown |
https://doi.org/10.1021/JF00063A015 https://doi.org/10.1021/JF9702860 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
|
1,3,6,7-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
5319258 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
438.30 |
unknown |
via CMAUP database |
1,3,6,7-tetrahydroxy-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
58326015 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
|
422.30 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
5358385 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
|
422.30 |
unknown |
https://doi.org/10.1248/CPB.18.2224 https://doi.org/10.1248/CPB.32.2676 https://doi.org/10.1021/JF011064B |
1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
15559961 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
|
422.30 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
1,3,6,7-tetrahydroxy-4-[1,3,6,7-tetrahydroxy-9-oxo-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-4-yl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
162819707 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5=C6C(=C(C(=C5O)C7C(C(C(C(O7)CO)O)O)O)O)C(=O)C8=CC(=C(C=C8O6)O)O
|
842.70 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
12310472 |
Click to see
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
|
436.40 |
unknown |
https://doi.org/10.1248/CPB.18.2224 |
1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
5318081 |
Click to see
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
452.40 |
unknown |
via CMAUP database |
1,6,7-trihydroxy-3-methoxy-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
|
163087430 |
Click to see
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
|
436.40 |
unknown |
https://doi.org/10.1016/J.BMC.2014.02.014 |
Euxanthone
|
5281631 |
Click to see
C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
|
228.20 |
unknown |
via CMAUP database |
Gentisein
|
5281635 |
Click to see
C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O
|
244.20 |
unknown |
via CMAUP database |
Homomangiferin
|
5491388 |
Click to see
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
|
436.40 |
unknown |
https://doi.org/10.1248/CPB.18.2224 |
Isomangiferin
|
5318597 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
|
422.30 |
unknown |
https://doi.org/10.1021/JF030218F https://doi.org/10.1248/CPB.32.2676 |
Mangiferin
|
5281647 |
Click to see
C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
|
422.30 |
unknown |
https://doi.org/10.1002/MRC.1972 https://doi.org/10.1016/0031-9422(88)80189-4 https://doi.org/10.1248/CPB.32.2676 https://doi.org/10.1246/BCSJ.30.618 https://doi.org/10.1016/S0031-9422(00)83042-3 https://doi.org/10.1021/JF011064B https://doi.org/10.1021/JF030218F https://doi.org/10.1016/J.PHRS.2003.12.020 https://doi.org/10.1248/CPB.18.2224 https://doi.org/10.1016/B978-0-12-304250-7.50016-X https://doi.org/10.1016/S1567-5769(02)00018-8 |
Mangiferin 6'-gallate
|
131752602 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC5=CC(=C(C=C5C4=O)O)O)O)O)O)O
|
574.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
Mangiferin 6'-O-gallate
|
162932599 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC5=CC(=C(C=C5C4=O)O)O)O)O)O)O
|
574.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
Norathyriol
|
5281656 |
Click to see
C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O
|
260.20 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 8-prenylated xanthones
|
Mangostin
|
5281650 |
Click to see
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C
|
410.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Dihydrofurans
|
2-Methylfurfural
|
87195639 |
Click to see
CC1(CC=CO1)C=O
|
112.13 |
unknown |
https://doi.org/10.1021/JF00063A015 |
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
|
5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
|
5288156 |
Click to see
CC1=C2C=C[NH+]=CC2=C(C3=C1NC4=CC=CC=C43)C
|
247.31 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Lactones / Delta valerolactones
|
delta-Decalactone
|
12810 |
Click to see
CCCCCC1CCCC(=O)O1
|
170.25 |
unknown |
https://doi.org/10.1021/JF00097A028 https://doi.org/10.1016/0031-9422(88)80124-9 |
Delta-Nonalactone
|
18698 |
Click to see
CCCCC1CCCC(=O)O1
|
156.22 |
unknown |
https://doi.org/10.1021/JF00097A028 |
delta-Octalactone
|
12777 |
Click to see
CCCC1CCCC(=O)O1
|
142.20 |
unknown |
https://doi.org/10.1021/JF00097A028 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(S)-4-Nonanolide
|
441574 |
Click to see
CCCCCC1CCC(=O)O1
|
156.22 |
unknown |
https://doi.org/10.1021/JF00097A028 |
2(3H)-Furanone, dihydro-3-methyl-, (R)-
|
638758 |
Click to see
CC1CCOC1=O
|
100.12 |
unknown |
via CMAUP database |
gamma-Butyrolactone
|
7302 |
Click to see
C1CC(=O)OC1
|
86.09 |
unknown |
https://doi.org/10.1021/JF00097A028 |
gamma-Caprolactone
|
12756 |
Click to see
CCC1CCC(=O)O1
|
114.14 |
unknown |
https://doi.org/10.1021/JF00097A028 |
Gamma-Decalactone
|
12813 |
Click to see
CCCCCCC1CCC(=O)O1
|
170.25 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00097A028 |
gamma-Dodecalactone
|
16821 |
Click to see
CCCCCCCCC1CCC(=O)O1
|
198.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00097A028 |
gamma-Heptalactone
|
7742 |
Click to see
CCCC1CCC(=O)O1
|
128.17 |
unknown |
https://doi.org/10.1021/JF00097A028 |
Gamma-nonalactone
|
7710 |
Click to see
CCCCCC1CCC(=O)O1
|
156.22 |
unknown |
https://doi.org/10.1021/JF00097A028 |
gamma-Octalactone
|
7704 |
Click to see
CCCCC1CCC(=O)O1
|
142.20 |
unknown |
https://doi.org/10.1016/0031-9422(88)80124-9 https://doi.org/10.1021/JF00097A028 |
gamma-Valerolactone
|
7921 |
Click to see
CC1CCC(=O)O1
|
100.12 |
unknown |
https://doi.org/10.1021/JF00097A028 |
> Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones
|
Aurasperone D
|
155008 |
Click to see
CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6O)OC)O)C(=O)C=C(O5)C)OC
|
556.50 |
unknown |
via CMAUP database |
Rubrofusarin
|
72537 |
Click to see
CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O
|
272.25 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Oxepanes
|
1,4-Dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octan-7-ol
|
5318260 |
Click to see
CC1COC2(C(CC1C2=C)O)C
|
168.23 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids
|
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
|
3405 |
Click to see
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
|
441.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyranodioxins
|
(6S,8S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-bis(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
|
5317351 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C(OC3C(C(C(OC3O2)CO)O)O)CO
|
388.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
|
8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one
|
16219364 |
Click to see
CC(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)(O)OC
|
323.34 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Depsides and depsidones
|
2,4-Dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
|
5316679 |
Click to see
C1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O
|
322.22 |
unknown |
via CMAUP database |
Digallic acid
|
341 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O
|
322.22 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
Amentoflavone
|
5281600 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
|
538.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83042-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
1203 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 https://doi.org/10.1021/JF011064B |
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1021/JF011064B |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 https://doi.org/10.1021/JF011064B |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
|
(-)-Epicatechin gallate
|
107905 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
442.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
(+)-Catechin gallate
|
5276454 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
442.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
367141 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
442.40 |
unknown |
https://doi.org/10.1248/CPB.32.2676 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
|
(-)-Epitaxifolin
|
712318 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
304.25 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
(+/-)-Taxifolin
|
471 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
304.25 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Fisetin(1-)
|
54758660 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)[O-])O)O
|
285.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Fisetin
|
5281614 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1021/JF030218F |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl beta-D-glucopyranoside
|
21626710 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
452.40 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
162993993 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
466.40 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
14704553 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0484069 |
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/10.1021/JF030218F |
3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
163043399 |
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)OC5C(C(C(C(O5)CO)O)O)O)O)O)O
|
626.50 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
14185727 |
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)OC5C(C(C(C(O5)CO)O)O)O)O)O
|
626.50 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
Astragalin
|
5282102 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/JF030218F |
Epicatechin 3-glucoside
|
14104301 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
452.40 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
Glucodistylin
|
14187088 |
Click to see
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
466.40 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
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/JF030218F |
Quercetin 3-beta-laminaribioside
|
74978161 |
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)OC5C(C(C(C(O5)CO)O)O)O)O)O)O
|
626.50 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
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/JF030218F |
Quosp
|
5282166 |
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)OC5C(C(C(C(O5)CO)O)O)O)O)O
|
626.50 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
Reynoutrin
|
5878729 |
Click to see
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
https://doi.org/10.1021/JF030218F |
Rhamnetin 3-galactoside
|
10344991 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0484069 |
Rhamnetin 3-O-|A-D-glucopyranoside
|
14704554 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0484069 |
Rutin
|
5280805 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
5-Hydroxy-3-(4-hydroxylphenyl)pyrano[3,2-g]chromene-4(8h)-one
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91356749 |
Click to see
C1C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
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308.30 |
unknown |
https://doi.org/10.1080/14786419.2010.488628 |
> Phenylpropanoids and polyketides / Tannins
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.beta-Penta-O-galloyl-D-glucose
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374874 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
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940.70 |
unknown |
https://doi.org/10.1021/JF901621M |
Pentagalloylglucose
|
65238 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
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940.70 |
unknown |
https://doi.org/10.1021/JF901621M |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
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Ellagic Acid
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5281855 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
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302.19 |
unknown |
via CMAUP database |