> Benzenoids / Benzene and substituted derivatives
|
1-Phenylethanol
|
7409 |
Click to see
CC(C1=CC=CC=C1)O
|
122.16 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Phenylethyl Alcohol
|
6054 |
Click to see
C1=CC=C(C=C1)CCO
|
122.16 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
|
Ethyl salicylate
|
8365 |
Click to see
CCOC(=O)C1=CC=CC=C1O
|
166.17 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Methyl Salicylate
|
4133 |
Click to see
COC(=O)C1=CC=CC=C1O
|
152.15 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
|
2-Ethoxybenzoic acid
|
67252 |
Click to see
CCOC1=CC=CC=C1C(=O)O
|
166.17 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
3-Hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
|
75670017 |
Click to see
C1C(C(C(C=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1248/CPB.33.96 |
5-Galloylshikimic acid
|
460897 |
Click to see
C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O
|
326.25 |
unknown |
https://doi.org/10.1248/CPB.33.96 |
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
|
Benzaldehyde
|
240 |
Click to see
C1=CC=C(C=C1)C=O
|
106.12 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
|
Benzyl Alcohol
|
244 |
Click to see
C1=CC=C(C=C1)CO
|
108.14 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
|
Phenylacetaldehyde
|
998 |
Click to see
C1=CC=C(C=C1)CC=O
|
120.15 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Benzenoids / Phenols / Methoxyphenols
|
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Guaiacol
|
460 |
Click to see
COC1=CC=CC=C1O
|
124.14 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Docosane
|
12405 |
Click to see
CCCCCCCCCCCCCCCCCCCCCC
|
310.60 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Eicosane
|
8222 |
Click to see
CCCCCCCCCCCCCCCCCCCC
|
282.50 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Ethane
|
6324 |
Click to see
CC
|
30.07 |
unknown |
via CMAUP database |
Heneicosane
|
12403 |
Click to see
CCCCCCCCCCCCCCCCCCCCC
|
296.60 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Nonadecane
|
12401 |
Click to see
CCCCCCCCCCCCCCCCCCC
|
268.50 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Octane
|
356 |
Click to see
CCCCCCCC
|
114.23 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Pentacosane
|
12406 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCC
|
352.70 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Tetracosane
|
12592 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC
|
338.70 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Tricosane
|
12534 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCC
|
324.60 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
Arctigenin
|
64981 |
Click to see
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC
|
372.40 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Lignan glycosides
|
Arctiin
|
100528 |
Click to see
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
|
534.60 |
unknown |
via CMAUP database |
Matairesinoside
|
486612 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O
|
520.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
|
Methyl palmitate
|
8181 |
Click to see
CCCCCCCCCCCCCCCC(=O)OC
|
270.50 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
Nonanoic Acid
|
8158 |
Click to see
CCCCCCCCC(=O)O
|
158.24 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Hexanol
|
8103 |
Click to see
CCCCCCO
|
102.17 |
unknown |
https://doi.org/10.1021/JF60224A025 |
1-Octanol
|
957 |
Click to see
CCCCCCCCO
|
130.23 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Nonan-1-ol
|
8914 |
Click to see
CCCCCCCCCO
|
144.25 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Geraniol
|
637566 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Linalool, (+/-)-
|
6549 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Nerol
|
643820 |
Click to see
CC(=CCCC(=CCO)C)C
|
154.25 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
alpha-Bergamotene
|
86608 |
Click to see
CC1=CCC2CC1C2(C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
Limonene, (+)-
|
440917 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(3R,6E)-nerolidol
|
11241545 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Alpha-Farnesene
|
5281516 |
Click to see
CC(=CCCC(=CCC=C(C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1021/JF60224A025 |
beta Farnesene
|
15228937 |
Click to see
CCC(=C)CCC=C(C)CCC=C(C)C
|
206.37 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Nerolidol
|
8888 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
|
101673969 |
Click to see
C1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O
|
552.50 |
unknown |
via CMAUP database |
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4,7alpha-dicarboxylic acid 4-beta-D-glucopyranosyl 7-methyl ester
|
101673970 |
Click to see
COC(=O)C1CCC2C1C(OC=C2C(=O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
566.50 |
unknown |
via CMAUP database |
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4,7alpha-dicarboxylic acid 7-methyl ester
|
101673972 |
Click to see
COC(=O)C1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
404.40 |
unknown |
via CMAUP database |
Adoxosidic acid
|
13892717 |
Click to see
C1CC2C(C1CO)C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
376.36 |
unknown |
via CMAUP database |
dimethyl (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
|
101673971 |
Click to see
COC(=O)C1CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
|
418.40 |
unknown |
via CMAUP database |
Forsythide
|
15559328 |
Click to see
C1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)C(=O)O
|
390.34 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-3',4',5',10,11,17',18',19'-octahydroxy-1,2,6a,6b,12a-pentamethyl-8',14'-dioxospiro[2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-9,11'-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene]-4a-carboxylate
|
163189714 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C56COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC6)O)O)O)O)O)O)O)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
163193639 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,5R,6S,9S,12R,13S,14S,18S,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-5,6,12,13,19-pentamethyl-24,37-dioxo-1-[(3,4,5-trihydroxybenzoyl)oxymethyl]-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
163194106 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)COC(=O)C9=CC(=C(C(=C9)O)O)O)O)C)C)C2C1C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 21,27,28,29,32,33,34-heptahydroxy-5,6,12,13,19-pentamethyl-24,37-dioxo-1-[(3,4,5-trihydroxybenzoyl)oxymethyl]-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
14105940 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)COC(=O)C9=CC(=C(C(=C9)O)O)O)O)C)C)C2C1C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 27,28,29,32,33,34-hexahydroxy-21,21-bis(hydroxymethyl)-3,9,10,16,17-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.16.0.03,20.04,17.07,16.08,13.025,30.031,36]octatriaconta-6,25,27,29,31,33,35-heptaene-13-carboxylate
|
3508070 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(CO)CO)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aS,10R,11R,12aR,14bR)-3',4',5',10,11,17',18',19'-octahydroxy-2,2,6a,6b,12a-pentamethyl-8',14'-dioxospiro[1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-9,11'-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene]-4a-carboxylate
|
162933292 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C56COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC6)O)O)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)C
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,5R,6S,9S,14R,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
163083065 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,3R,4R,8R,13S,16S,17R,20R,22R)-27,28,29,32,33,34-hexahydroxy-21,21-bis(hydroxymethyl)-3,10,10,16,17-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.16.0.03,20.04,17.07,16.08,13.025,30.031,36]octatriaconta-6,25,27,29,31,33,35-heptaene-13-carboxylate
|
162889341 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(CO)CO)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,5R,6S,9S,14R,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
163083064 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2S,5R,6S,9S,14R,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-5,6,12,12,19-pentamethyl-24,37-dioxo-1-[(3,4,5-trihydroxybenzoyl)oxymethyl]-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
|
163032845 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)COC(=O)C9=CC(=C(C(=C9)O)O)O)O)C)C)C2C1)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 27,28,29,32,33,34-hexahydroxy-21,21-bis(hydroxymethyl)-3,10,10,16,17-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.16.0.03,20.04,17.07,16.08,13.025,30.031,36]octatriaconta-6,25,27,29,31,33,35-heptaene-13-carboxylate
|
14106004 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(CO)CO)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
|
969.00 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
[3,5-Dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl] 3',4',5',10,11,17',18',19'-octahydroxy-2,2,6a,6b,12a-pentamethyl-8',14'-dioxospiro[1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-9,11'-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene]-4a-carboxylate
|
14106015 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C56COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC6)O)O)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)C
|
1121.10 |
unknown |
https://doi.org/10.1248/CPB.36.1646 |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
[(2R,3S,4S,5R,6S)-6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
21626509 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)CO
|
470.40 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
[(2R,3S,4S,5R,6S)-6-[2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
21626510 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O
|
622.50 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
Forsythoside F
|
6442994 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(CO4)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
|
756.70 |
unknown |
via CMAUP database |
Forsythoside G
|
101231533 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)OC)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
|
770.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
|
Valeraldehyde
|
8063 |
Click to see
CCCCC=O
|
86.13 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> 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/10.1021/JF60224A025 |
Furfural
|
7362 |
Click to see
C1=COC(=C1)C=O
|
96.08 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Decanal
|
8175 |
Click to see
CCCCCCCCCC=O
|
156.26 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Heptanal
|
8130 |
Click to see
CCCCCCC=O
|
114.19 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Hexanal
|
6184 |
Click to see
CCCCCC=O
|
100.16 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Nonanal
|
31289 |
Click to see
CCCCCCCCC=O
|
142.24 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Octanal
|
454 |
Click to see
CCCCCCCC=O
|
128.21 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> 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/10.1021/JF60224A025 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
|
Salicylaldehyde
|
6998 |
Click to see
C1=CC=C(C(=C1)C=O)O
|
122.12 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
2'-Aminoacetophenone
|
11086 |
Click to see
CC(=O)C1=CC=CC=C1N
|
135.16 |
unknown |
https://doi.org/10.1021/JF60224A025 |
2'-Hydroxyacetophenone
|
8375 |
Click to see
CC(=O)C1=CC=CC=C1O
|
136.15 |
unknown |
https://doi.org/10.1021/JF60224A025 |
Acetophenone
|
7410 |
Click to see
CC(=O)C1=CC=CC=C1
|
120.15 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Organoheterocyclic compounds / Heteroaromatic compounds
|
Furfuryl alcohol
|
7361 |
Click to see
C1=COC(=C1)CO
|
98.10 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Organoheterocyclic compounds / Pyridines and derivatives
|
Pyridine
|
1049 |
Click to see
C1=CC=NC=C1
|
79.10 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Organoheterocyclic compounds / Quinolines and derivatives
|
4-Methoxyquinoline
|
521938 |
Click to see
COC1=CC=NC2=CC=CC=C21
|
159.18 |
unknown |
https://doi.org/10.1021/JF60224A025 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
Verbascoside
|
5281800 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
|
624.60 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
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 |
via CMAUP database |
Isoquercetin
|
5280804 |
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 |
via CMAUP database |
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 / Tannins / Complex tannins
|
44-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
|
162846018 |
Click to see
C1C(C(OC2=C1C(=CC3=C2C4C5C6C7C(COC(=O)C8=C(C(=C(C(=C8)C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C(=C1O)O)O)C1=C(C(=O)C4(C1C(=O)O5)O3)O)C(=O)O6)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1176.90 |
unknown |
https://doi.org/10.1248/CPB.36.857 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
100916646 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
162984517 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)COC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)OCC6=CC(=C(C(=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O
|
1090.80 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
162897965 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)O)O)O
|
1090.80 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
[3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
14057214 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)COC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)OCC6=CC(=C(C(=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O
|
1090.80 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
[3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
14057216 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)O)O)O
|
1090.80 |
unknown |
https://doi.org/10.1248/CPB.36.870 |
Casuarictin
|
73644 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
https://doi.org/10.1248/CPB.37.50 |