|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
|
Dimethyl anthranilate
|
6826 |
Click to see
CNC1=CC=CC=C1C(=O)OC
|
165.19 |
unknown |
via CMAUP database |
|
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
|
|
Benzyl Alcohol
|
244 |
Click to see
|
108.14 |
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 |
via CMAUP database |
|
> Benzenoids / Benzene and substituted derivatives / Phenylpropenes
|
|
2-M-Tolylpropene
|
70759 |
Click to see
|
132.20 |
unknown |
via CMAUP database |
|
O,alpha-dimethylstyrene
|
81886 |
Click to see
|
132.20 |
unknown |
via CMAUP database |
|
p-alpha-Dimethyl styrene
|
62385 |
Click to see
|
132.20 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
|
|
(-)-Synephrine
|
854067 |
Click to see
CNCC(C1=CC=C(C=C1)O)O
|
167.20 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / 4-alkoxyphenols
|
|
4-(3-Methyl-2-butenoxy)phenol
|
11435274 |
Click to see
CC(=CCOC1=CC=C(C=C1)O)C
|
178.23 |
unknown |
via CMAUP database |
|
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
|
Gamma-Terpinene
|
7461 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
|
|
6-Hexadecen-4-yne, (E)-
|
5367338 |
Click to see
CCCCCCCCCC=CC#CCCC
|
220.39 |
unknown |
via CMAUP database |
|
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatetraenes
|
|
12-Methyl-1,5,9,11-tridecatetraene
|
564371 |
Click to see
|
190.32 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
|
Eicosanoic Acid
|
10467 |
Click to see
|
312.50 |
unknown |
via CMAUP database |
|
Oleic Acid
|
445639 |
Click to see
|
282.50 |
unknown |
via CMAUP database |
|
Palmitic Acid
|
985 |
Click to see
|
256.42 |
unknown |
via CMAUP database |
|
Stearic Acid
|
5281 |
Click to see
|
284.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
|
Hexacosanoic Acid
|
10469 |
Click to see
|
396.70 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
|
Decyl acetate
|
8167 |
Click to see
|
200.32 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
|
1-Octanol
|
957 |
Click to see
CCCCCCCCO
|
130.23 |
unknown |
via CMAUP database |
|
8-Hentriacontanol
|
15693543 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCC)O
|
452.80 |
unknown |
https://doi.org/10.1248/CPB.37.1213 |
|
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
|
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
via CMAUP database |
|
Linolenic Acid
|
5280934 |
Click to see
|
278.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
|
(1R,2R,4R,7R,9R,10S,13S,16R)-2,7,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
14378401 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1248/CPB.37.1213 https://doi.org/10.1246/BCSJ.47.1277 |
|
(1R,2R,4R,8S,9R,10S,13R)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
146014674 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1039/P19870002403 https://doi.org/10.1246/NIKKASHI.1994.493 https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
(1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecan-15-one
|
13945496 |
Click to see
CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)O)C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80075-8 https://doi.org/10.1039/P19870002403 https://doi.org/10.1246/CL.1977.1289 https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
(1R,2R,4R,8S,9R,10S,13S,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
162871586 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1246/CL.1977.1289 |
|
(1R,2R,4R,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15-dione
|
162893396 |
Click to see
|
332.40 |
unknown |
https://doi.org/10.1246/BCSJ.47.1277 |
|
(1R,2S,4R,8S,9S,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
162871585 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1246/CL.1977.1289 |
|
(1S,2R,4R,7S,9R,10S,13R,16R)-2,7,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
163085532 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1246/CL.1973.255 |
|
(1S,2S,5S,8S,9R,11R,15S,16R,18R)-15,16,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
163046093 |
Click to see
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
(1S,2S,5S,8S,9R,11R,15S,16R,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
162960861 |
Click to see
|
362.50 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
(1S,2S,5S,8S,9R,11R,15S,16S,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
102371731 |
Click to see
|
362.50 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
(1S,2S,5S,8S,9R,11R,15S,18S)-16-ethoxy-15,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
122371097 |
Click to see
CCOC1C23C4CCC5C(C4(C(O1)CC2C(CCC3O)(C)C)C(=O)C5=C)O
|
376.50 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
(2,10,16-Trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
3944690 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
(2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
13298862 |
Click to see
CC(=O)OC1CCC2(C3CCC4C(C3(C(CC2C1(C)C)O)C(=O)C4=C)O)C
|
376.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
(2,8-Dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
14313600 |
Click to see
CC(=O)OC1C2CCC3C1(C(CC4C3(C(CCC4(C)C)O)C)O)C(=O)C2=C
|
376.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
(2,8,16-Trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
5088565 |
Click to see
CC(=O)OC1CC(C2(C3CCC4C(C3(C(CC2C1(C)C)O)C(=O)C4=C)O)C)O
|
392.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
(8,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
|
14313602 |
Click to see
CC(=O)OC1CC2C(CCC(C2(C3C14C(C(CC3)C(=C)C4=O)O)C)O)(C)C
|
376.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[(1R,2R,4R,6S,9R,10R,13S,16R)-2,10,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
13298861 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
[(1R,2R,4R,8S,9R,10S,13S,16R)-2,8-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
14313601 |
Click to see
|
376.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[(1R,2R,4R,8S,9R,10S,13S,16R)-2,8-dihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-15-oxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
14313605 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[(1S,2R,4R,8S,9R,10S,13S,16R)-8,16-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
162988120 |
Click to see
|
376.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[(1S,2R,4R,8S,9R,10S,13S,16R)-8,16-dihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
163045846 |
Click to see
CC(=O)OC1CC2C(CCC(C2(C3C14C(C(CC3)C(=C)C4=O)O)CO)O)(C)C
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[2,8-Dihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-15-oxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
14313604 |
Click to see
CC(=O)OC1C2CCC3C1(C(CC4C3(C(CCC4(C)C)O)CO)O)C(=O)C2=C
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
[8,16-Dihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
14313606 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
15,16,18-Trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
14313608 |
Click to see
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
15,18-Dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
13945517 |
Click to see
CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)OC3OC)O)C
|
362.50 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
2,11,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
13945509 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
2,16-Dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15-dione
|
162893395 |
Click to see
CC1(CC(=O)CC2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)C
|
332.40 |
unknown |
https://doi.org/10.1246/BCSJ.47.1277 |
|
2,7,16-Trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
14378400 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1246/BCSJ.47.1277 https://doi.org/10.1246/CL.1973.255 |
|
2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
3819 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1039/P19870002403 https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
Isodomedin
|
442045 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1248/CPB.37.1213 https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
Kamebacetal A
|
53322744 |
Click to see
CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)OC3OC)O)C
|
362.50 |
unknown |
via CMAUP database |
|
Kamebakaurin
|
13945489 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1039/P19870002403 https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
Kamebakaurinin
|
13945510 |
Click to see
CC1(CCCC2(C1CC(C34C2C(CC(C3O)C(=C)C4=O)O)O)CO)C
|
350.40 |
unknown |
https://doi.org/10.1039/P19870002403 |
|
Kamebanin
|
12004580 |
Click to see
CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)O)C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(79)80075-8 https://doi.org/10.1248/CPB.37.1213 https://doi.org/10.1039/P19870002403 https://doi.org/10.1246/NIKKASHI.1994.493 https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/S0031-9422(00)97826-9 |
|
Leukamenin E
|
45267324 |
Click to see
CC(=O)OC1CCC2(C3CCC4C(C3(C(CC2C1(C)C)O)C(=O)C4=C)O)C
|
376.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
Shikoccidin
|
54599671 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1248/CPB.37.1213 |
|
> Lipids and lipid-like molecules / Prenol lipids / Hopanoids
|
|
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-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-4,9-diol
|
101281371 |
Click to see
|
460.70 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
|
(R)-(+)-Citronellal
|
75427 |
Click to see
CC(CCC=C(C)C)CC=O
|
154.25 |
unknown |
via CMAUP database |
|
beta-CITRONELLOL, (R)-
|
101977 |
Click to see
|
156.26 |
unknown |
via CMAUP database |
|
cis-alpha-Ocimene
|
5463455 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
Citral
|
638011 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
Linalool, (-)-
|
443158 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
via CMAUP database |
|
Neral
|
643779 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
Nerol
|
643820 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
|
Carvacrol
|
10364 |
Click to see
CC1=C(C=C(C=C1)C(C)C)O
|
150.22 |
unknown |
via CMAUP database |
|
P-Cymene
|
7463 |
Click to see
|
134.22 |
unknown |
via CMAUP database |
|
Thymol
|
6989 |
Click to see
|
150.22 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
|
(-)-alpha-Pinene
|
440968 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
via CMAUP database |
|
(+)-2-Carene
|
78249 |
Click to see
CC1=CC2C(C2(C)C)CC1
|
136.23 |
unknown |
via CMAUP database |
|
(+)-trans-Sabinene hydrate
|
11228920 |
Click to see
CC(C)C12CCC(C1C2)(C)O
|
154.25 |
unknown |
via CMAUP database |
|
(1S,2S,3R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
|
21626089 |
Click to see
CC1(C2CCC1(C(C2O)O)C)C
|
170.25 |
unknown |
via CMAUP database |
|
alpha-THUJENE, (+/-)-
|
12444324 |
Click to see
CC1=CCC2(C1C2)C(C)C
|
136.23 |
unknown |
via CMAUP database |
|
Sabinene hydrate
|
11744854 |
Click to see
|
154.25 |
unknown |
via CMAUP database |
|
> 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 |
via CMAUP database |
|
(+)-alpha-Phellandrene
|
443160 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
(+)-alpha-Terpineol
|
442501 |
Click to see
|
154.25 |
unknown |
via CMAUP database |
|
(+)-Limonene
|
440917 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
|
10888107 |
Click to see
CC1=CCC(CC1=O)C(C)C
|
152.23 |
unknown |
via CMAUP database |
|
2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enyl acetate
|
11333027 |
Click to see
CC1=CCC(CC1)C(=C)COC(=O)C
|
194.27 |
unknown |
via CMAUP database |
|
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
|
12618691 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
|
6951358 |
Click to see
CC1=CCC(CC1OC(=O)C)C(=C)C
|
194.27 |
unknown |
via CMAUP database |
|
Alpha-Terpinene
|
7462 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
Carvone, (-)-
|
439570 |
Click to see
|
150.22 |
unknown |
via CMAUP database |
|
Perillaldehyde, (+)-
|
1548901 |
Click to see
|
150.22 |
unknown |
via CMAUP database |
|
Phellandral, (R)-
|
12305140 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
Terpinolene
|
11463 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
trans-1(7),8-p-Menthadien-2-ol
|
6428442 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
|
alpha-Farnesene, (3Z,6Z)-
|
5317320 |
Click to see
|
204.35 |
unknown |
via CMAUP database |
|
alpha-Sinensal
|
5281534 |
Click to see
CC(=CCC=C(C)C=C)CCC=C(C)C=O
|
218.33 |
unknown |
via CMAUP database |
|
Farnesol
|
445070 |
Click to see
|
222.37 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
|
alpha-Selinene
|
10856614 |
Click to see
|
204.35 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
|
alpha-Carotene
|
6419725 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
via CMAUP database |
|
Asymmetrical zeta-carotene/Asym. zeta-carotene/7,8,11,12-Tetrahydrolycopene
|
16061252 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
|
540.90 |
unknown |
via CMAUP database |
|
Beta-Carotene
|
5280489 |
Click to see
|
536.90 |
unknown |
via CMAUP database |
|
epsilon,psi-Carotene, (6R)-
|
5281230 |
Click to see
|
536.90 |
unknown |
via CMAUP database |
|
Lycopene
|
446925 |
Click to see
|
536.90 |
unknown |
via CMAUP database |
|
Phytofluene
|
6436722 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
|
542.90 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
|
(1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S,6S)-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
|
101341894 |
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 |
|
(3S,3'R,5R,6S)-beta,beta-Carotene-3,3',5,6(5H,6H)-tetrol
|
23258402 |
Click to see
|
602.90 |
unknown |
via CMAUP database |
|
(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide
|
23256985 |
Click to see
|
568.90 |
unknown |
via CMAUP database |
|
(3S,5R,8R,3'R)-mutatoxanthin
|
21765300 |
Click to see
|
584.90 |
unknown |
via CMAUP database |
|
(8a(2)R)-Neochrome
|
14034169 |
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 |
via CMAUP database |
|
all-trans-Neoxanthin
|
5281247 |
Click to see
|
600.90 |
unknown |
via CMAUP database |
|
beta-Cryptoxathin-5',6'-epoxide
|
21587177 |
Click to see
|
568.90 |
unknown |
via CMAUP database |
|
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 |
via CMAUP database |
|
Rubixanthin
|
5281252 |
Click to see
|
552.90 |
unknown |
via CMAUP database |
|
Violaxanthin
|
448438 |
Click to see
|
600.90 |
unknown |
via CMAUP database |
|
Zeaxanthin
|
5280899 |
Click to see
|
568.90 |
unknown |
via CMAUP database |
|
Zeinoxanthin
|
5281234 |
Click to see
|
552.90 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
|
(2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal
|
9845703 |
Click to see
|
432.60 |
unknown |
via CMAUP database |
|
(3E,5E,7E,9E,11E,13E,15E,17E,19E)-20-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
|
101306769 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C)C)C
|
472.70 |
unknown |
via CMAUP database |
|
Apocarotenal
|
5478003 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C
|
416.60 |
unknown |
via CMAUP database |
|
beta-Citraurinene
|
90429320 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C)C)C
|
418.70 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
|
|
(1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
98050000 |
Click to see
|
502.50 |
unknown |
via CMAUP database |
|
(1R,2R,7S,10S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
|
92966492 |
Click to see
|
470.50 |
unknown |
via CMAUP database |
|
(2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid
|
53363753 |
Click to see
CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C
|
634.70 |
unknown |
via CMAUP database |
|
Limonin
|
179651 |
Click to see
|
470.50 |
unknown |
via CMAUP database |
|
Nomilin
|
72320 |
Click to see
|
514.60 |
unknown |
via CMAUP database |
|
Obacunone
|
119041 |
Click to see
|
454.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
|
|
(24R)-5-Ergosten-3beta-ol
|
312822 |
Click to see
|
400.70 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
(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
|
400.70 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
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/10.1246/NIKKASHI.1994.493 |
|
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/10.1246/NIKKASHI.1994.493 |
|
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/10.1246/NIKKASHI.1994.493 |
|
Stigmast-5-en-3-ol
|
22012 |
Click to see
|
414.70 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
Stigmasterol
|
5280794 |
Click to see
|
412.70 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
|
[(2R,4R,6S,9R,13R)-2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate
|
13298865 |
Click to see
|
374.50 |
unknown |
https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
Shikoccin
|
327536 |
Click to see
|
374.50 |
unknown |
https://doi.org/10.1248/CPB.37.1213 https://doi.org/10.1016/0031-9422(83)80156-3 https://doi.org/10.1016/0031-9422(79)80075-8 |
|
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
|
|
(2R,4R,8S,9S,13R)-2,8-dihydroxy-5,5,9-trimethyl-14-methylidenetricyclo[11.2.1.04,9]hexadec-1(16)-ene-10,15-dione
|
101320276 |
Click to see
|
332.40 |
unknown |
https://doi.org/10.1248/CPB.37.1213 https://doi.org/10.1016/0031-9422(83)80156-3 |
|
[(1E,4R,6S,9R,13R,15R)-15-hydroxy-5,5,9-trimethyl-14-methylidene-10-oxo-6-tricyclo[11.2.1.04,9]hexadec-1-enyl] acetate
|
101285177 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CC=C3CC(CCC2=O)C(=C)C3O)C
|
360.50 |
unknown |
https://doi.org/10.1246/CL.1984.1613 |
|
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
|
|
(2R,4R,9R,13R)-2-hydroxy-5,5,9-trimethyl-14-methylidenetricyclo[11.2.1.04,9]hexadec-1(16)-ene-10,15-dione
|
14378403 |
Click to see
|
316.40 |
unknown |
https://doi.org/10.1248/CPB.37.1213 |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
|
|
5,5'-Oxybis(5-methylene-2-furaldehyde)
|
12366272 |
Click to see
C1=C(OC(=C1)C=O)COCC2=CC=C(O2)C=O
|
234.20 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
|
(R)-alpha-Citronellal
|
72941638 |
Click to see
|
154.25 |
unknown |
via CMAUP database |
|
Decanal
|
8175 |
Click to see
|
156.26 |
unknown |
via CMAUP database |
|
Nonanal
|
31289 |
Click to see
CCCCCCCCC=O
|
142.24 |
unknown |
via CMAUP database |
|
Octanal
|
454 |
Click to see
|
128.21 |
unknown |
via CMAUP database |
|
Undecanal
|
8186 |
Click to see
CCCCCCCCCCC=O
|
170.29 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
|
6-Methyl-5-hepten-2-one
|
9862 |
Click to see
|
126.20 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Oxepanes
|
|
(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
|
6857487 |
Click to see
CC(=C)C1CCC2(C(C1)O2)C
|
152.23 |
unknown |
via CMAUP database |
|
Carvone-5,6-oxide, cis-(-)-
|
11030188 |
Click to see
|
166.22 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
|
Methyl Caffeate
|
689075 |
Click to see
|
194.18 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
|
2-(4-Hydroxyphenyl)ethyl 3-(4-hydroxyphenyl)prop-2-enoate
|
86163337 |
Click to see
|
284.31 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
|
|
Xanthoxyletin
|
66548 |
Click to see
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C
|
258.27 |
unknown |
via CMAUP database |
|
Xanthyletin
|
65188 |
Click to see
CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
|
228.24 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
|
3-Hydroxy-5,6,7,4'-tetramethoxyflavone
|
24752965 |
Click to see
|
358.30 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
|
Hesperidin
|
10621 |
Click to see
|
610.60 |
unknown |
via CMAUP database |
|
Naringin
|
442428 |
Click to see
|
580.50 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
|
Takakin
|
44258588 |
Click to see
|
300.26 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
|
5,7-Dihydroxy-3,6-dimethoxyflavone
|
5481646 |
Click to see
|
314.29 |
unknown |
via CMAUP database |
|
Eupatilin
|
5273755 |
Click to see
|
344.30 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
|
3,6,7,4'-Tetramethoxyflavone
|
14887080 |
Click to see
|
342.30 |
unknown |
via CMAUP database |
|
3',5-Dihydroxy-4',7-dimethoxyflavone
|
5320496 |
Click to see
|
314.29 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
5-Hydroxy-6,7,3',4'-Tetramethoxyflavone
|
152430 |
Click to see
|
358.30 |
unknown |
via CMAUP database |
|
5,7,3',4',5'-Pentamethoxyflavone
|
493376 |
Click to see
|
372.40 |
unknown |
via CMAUP database |
|
8-Hydroxy-4',5,7-trimethoxyflavone
|
5318368 |
Click to see
|
328.30 |
unknown |
via CMAUP database |
|
Apigenin trimethyl ether
|
79730 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
|
312.30 |
unknown |
via CMAUP database |
|
Cirsilineol
|
162464 |
Click to see
|
344.30 |
unknown |
via CMAUP database |
|
Cirsimaritin
|
188323 |
Click to see
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
|
314.29 |
unknown |
via CMAUP database |
|
Eupatorin
|
97214 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
|
344.30 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
Genkwanin
|
5281617 |
Click to see
|
284.26 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
Pedalitin
|
31161 |
Click to see
|
316.26 |
unknown |
https://doi.org/10.1246/NIKKASHI.1994.493 |
|
Salvigenin
|
161271 |
Click to see
|
328.30 |
unknown |
via CMAUP database |
|
Sinensetin
|
145659 |
Click to see
|
372.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
|
|
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
|
10452846 |
Click to see
|
388.40 |
unknown |
via CMAUP database |
|
3,5,6,7,8,3',4'-Heptamethoxyflavone
|
150893 |
Click to see
|
432.40 |
unknown |
via CMAUP database |
|
3'-Demethylnobiletin
|
183466 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O
|
388.40 |
unknown |
via CMAUP database |
|
3',4'-Didemethylnobiletin
|
5318041 |
Click to see
|
374.30 |
unknown |
via CMAUP database |
|
4'-Demethylnobiletin
|
21593928 |
Click to see
|
388.40 |
unknown |
via CMAUP database |
|
4'-Hydroxy-5,6,7,8-Tetramethoxyflavone
|
3010100 |
Click to see
|
358.30 |
unknown |
via CMAUP database |
|
4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone
|
181092 |
Click to see
|
374.30 |
unknown |
via CMAUP database |
|
4',5-Dihydroxy-7,8-dimethoxyflavone
|
14585506 |
Click to see
|
314.29 |
unknown |
via CMAUP database |
|
5-Demethoxynobiletin
|
44584772 |
Click to see
|
372.40 |
unknown |
via CMAUP database |
|
5-Demethylnobiletin
|
358832 |
Click to see
|
388.40 |
unknown |
via CMAUP database |
|
5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
|
14353376 |
Click to see
|
328.30 |
unknown |
via CMAUP database |
|
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
|
177696 |
Click to see
|
360.30 |
unknown |
via CMAUP database |
|
6-Demethoxytangeretin
|
629964 |
Click to see
|
342.30 |
unknown |
via CMAUP database |
|
7-Hydroxy-4',5,6,8-tetramethoxyflavone
|
5318356 |
Click to see
|
358.30 |
unknown |
via CMAUP database |
|
Gardenin B
|
96539 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O
|
358.30 |
unknown |
via CMAUP database |
|
Gardenin D
|
3080750 |
Click to see
|
374.30 |
unknown |
via CMAUP database |
|
Isosinensetin
|
632135 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC
|
372.40 |
unknown |
via CMAUP database |
|
Linderoflavone B
|
97151 |
Click to see
COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC
|
386.40 |
unknown |
via CMAUP database |
|
Nobiletin
|
72344 |
Click to see
|
402.40 |
unknown |
via CMAUP database |
|
Sudachitin
|
12443122 |
Click to see
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O
|
360.30 |
unknown |
via CMAUP database |
|
Tangeretin
|
68077 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
|
372.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Pyranoflavonoids
|
|
4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
|
44258693 |
Click to see
|
380.40 |
unknown |
via CMAUP database |