|
> Alkaloids and derivatives / Protoberberine alkaloids and derivatives
|
|
(8R,13aS)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
|
122224813 |
Click to see
|
421.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
|
|
Gallic Acid
|
370 |
Click to see
|
170.12 |
unknown |
via CMAUP database |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
|
Methyl Gallate
|
7428 |
Click to see
|
184.15 |
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 / Naphthalenes / Naphthols and derivatives
|
|
2-Naphthol
|
8663 |
Click to see
C1=CC=C2C=C(C=CC2=C1)O
|
144.17 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
|
|
4-[(2R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dihydrofuran-2-yl]phenol
|
25775479 |
Click to see
CC1=C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
|
282.30 |
unknown |
via CMAUP database |
|
4-[(2S,3R,5S)-5-(4-hydroxyphenyl)-3-methyl-4-methylideneoxolan-2-yl]phenol
|
73213070 |
Click to see
|
282.30 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / Methoxyphenols
|
|
4-[(2S,3R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-methyl-4-methylideneoxolan-2-yl]-2-methoxyphenol
|
73213151 |
Click to see
|
342.40 |
unknown |
via CMAUP database |
|
4,4'-(3,4-Dimethyl-2,5-dihydrofuran-2alpha,5beta-diyl)bis(2-methoxyphenol)
|
73213069 |
Click to see
CC1=C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
342.40 |
unknown |
via CMAUP database |
|
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
|
|
Tyrosol
|
10393 |
Click to see
|
138.16 |
unknown |
via CMAUP database |
|
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
|
|
(-)-Larreatricin
|
26389403 |
Click to see
|
284.30 |
unknown |
via CMAUP database |
|
Meso-3,3'-Didemethoxynectandrin B
|
14213224 |
Click to see
CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
|
284.30 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
|
(6R,9S)-Roseoside
|
11165077 |
Click to see
|
386.40 |
unknown |
via CMAUP database |
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
11972424 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)OCC(=CCOC2C(C(C(C(O2)CO)O)O)O)C#N)O
|
451.40 |
unknown |
via CMAUP database |
|
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
11972423 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC(=CCOC2C(C(C(C(O2)CO)O)O)O)C#N)O
|
421.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
|
CID 36690979
|
36690979 |
Click to see
CC(CCCC(=C)C)CCOC(=O)C
|
198.30 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
|
Rhodinol
|
81263 |
Click to see
|
156.26 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
|
CID 101685533
|
101685533 |
Click to see
|
394.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 101685704
|
101685704 |
Click to see
|
394.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 102090450
|
102090450 |
Click to see
|
376.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 102427309
|
102427309 |
Click to see
|
352.50 |
unknown |
via CMAUP database |
|
CID 10521953
|
10521953 |
Click to see
CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)O
|
352.50 |
unknown |
https://doi.org/10.1021/NP960042U |
|
CID 10617995
|
10617995 |
Click to see
|
352.50 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 15548655
|
15548655 |
Click to see
|
352.50 |
unknown |
https://doi.org/10.1021/NP960042U |
|
CID 15834304
|
15834304 |
Click to see
CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)CO)O
|
368.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
CID 15834667
|
15834667 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)CO)O
|
368.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
CID 162982638
|
162982638 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)O
|
352.50 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 85207303
|
85207303 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)O
|
352.50 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
Leopersin O
|
15834305 |
Click to see
CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)CO)O
|
368.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
Leopersin Q
|
15834666 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)CO)O
|
368.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
|
(1R,3R,4S,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
|
162904195 |
Click to see
CC1C(=O)C(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
(1S,3R,4R,4aS,8S,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
|
101316893 |
Click to see
|
350.40 |
unknown |
via CMAUP database |
|
(1S,3S,4R,4aS,8R,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
|
162904196 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
[(1S,2R,4aS,5S,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate
|
10691916 |
Click to see
|
392.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
[(1S,2R,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate
|
5317455 |
Click to see
CC(=O)OC1(C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)C
|
376.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
4-[2-(Furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
|
73811270 |
Click to see
CC1C(=O)C(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
Galeopsin
|
92966417 |
Click to see
|
376.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
|
beta-OCIMENE, (3E)-
|
5281553 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
beta-Ocimene, (3Z)-
|
5320250 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
|
(-)-Sabinene
|
11051711 |
Click to see
CC(C)C12CCC(=C)C1C2
|
136.23 |
unknown |
via CMAUP database |
|
(+)-3-Carene
|
443156 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
(+)-alpha-Pinene
|
82227 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
|
(+)-Limonene
|
440917 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
(+)-Terpinen-4-ol
|
2724161 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
via CMAUP database |
|
d-beta-Phellandrene
|
442484 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
Terpinolene
|
11463 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
|
beta-Humulene
|
5318102 |
Click to see
|
204.35 |
unknown |
via CMAUP database |
|
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
|
|
CID 10835902
|
10835902 |
Click to see
CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)CC(=O)OC5)C)(C(=O)O2)C)C
|
420.50 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 85283951
|
85283951 |
Click to see
CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)CC(=O)OC5)C)(C(=O)O2)C)C
|
420.50 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
|
[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
162894616 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] acetate
|
10596537 |
Click to see
CC(=O)OC1CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)(C)O
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[(1S,4aR,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
23640094 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
154496126 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
163193158 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[(4aS,7S,7aR)-4a,5-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
137703299 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
|
494583 |
Click to see
|
406.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
|
14355412 |
Click to see
CC(=O)OC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)C
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] acetate
|
14467219 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
10-Deoxygeniposidic acid
|
443353 |
Click to see
|
358.34 |
unknown |
https://doi.org/10.1021/NP980376E |
|
7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
4490614 |
Click to see
|
358.34 |
unknown |
https://doi.org/10.1021/NP980376E |
|
8-Epideoxyloganic acid
|
443332 |
Click to see
CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP980376E |
|
8-O-Acetylharpagide
|
9978650 |
Click to see
CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C
|
406.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
CID 9865184
|
9865184 |
Click to see
|
390.40 |
unknown |
https://doi.org/10.1021/NP980376E |
|
Deoxyloganic acid
|
4490284 |
Click to see
CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP980376E |
|
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
|
|
(4S)-4-[2-[(4R,4aR,8aR)-4-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-4-hydroxyoxolan-2-one
|
163043258 |
Click to see
CC1=C(C2(CCCC(C2C(C1=O)O)(C)C)C)CCC3(CC(=O)OC3)O
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
(4S)-4-[2-[(4S,4aS,8aS)-4-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-4-hydroxyoxolan-2-one
|
163043257 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-2H-furan-5-one
|
85290099 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
3-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
10854201 |
Click to see
CC1C(=O)CC2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C
|
334.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
3-[2-[(1S,2R,4aR,8aR)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
162925276 |
Click to see
|
334.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
4-hydroxy-4-[2-(4-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl)ethyl]oxolan-2-one
|
85241788 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 101685531
|
101685531 |
Click to see
CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)C
|
392.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 101685532
|
101685532 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 10689219
|
10689219 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 15834302
|
15834302 |
Click to see
CC1C(=O)C(C2C(C(CCC2(C13CCC4(O3)CC(=O)OC4)C)OC(=O)C)(C)C)O
|
408.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
CID 15834665
|
15834665 |
Click to see
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
CID 85233356
|
85233356 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
CID 85242167
|
85242167 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)CO)O
|
366.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
Leopersin D
|
10712843 |
Click to see
CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)O
|
350.40 |
unknown |
https://doi.org/10.1021/NP960042U |
|
Leopersin H
|
10713942 |
Click to see
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)CO)O
|
366.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
Leopersin L
|
102427310 |
Click to see
CC1=C(C2(CCCC(C2C(C1=O)O)(C)C)C)CCC3(CC(=O)OC3)O
|
350.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
(-)-beta-Sitosterol
|
222284 |
Click to see
|
414.70 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
|
412.70 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
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/10.1021/NP9700782 |
|
Stigmasterol
|
5280794 |
Click to see
|
412.70 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
> 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 |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
|
(1S,2R,4S,6S,10S)-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
|
10761921 |
Click to see
CC12C(O1)CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O
|
374.34 |
unknown |
https://doi.org/10.1021/NP980376E |
|
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1S,2R,4S,6R,10S)-6-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
|
162987713 |
Click to see
|
346.33 |
unknown |
https://doi.org/10.1021/NP980376E |
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2R,4S,6S,10S)-6-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
|
21604823 |
Click to see
CC12C(O1)CC3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O
|
346.33 |
unknown |
https://doi.org/10.1021/NP980376E |
|
2-Methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
|
85258998 |
Click to see
|
374.34 |
unknown |
https://doi.org/10.1021/NP980376E |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
|
(2S,3S,4S,5S,6S)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-2,3,4,5-tetrol
|
163047693 |
Click to see
COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC3C(C(C(C(O3)O)O)O)O)O)O)O
|
474.50 |
unknown |
https://doi.org/10.1021/NP980376E |
|
6-[[3,4,5-Trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-2,3,4,5-tetrol
|
163047692 |
Click to see
|
474.50 |
unknown |
https://doi.org/10.1021/NP980376E |
|
Eugenol rutinoside
|
15101911 |
Click to see
|
472.50 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha-acyloxy carbonyl compounds / Alpha-acyloxy ketones
|
|
[(1S,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-3,11-dioxo-2-oxatricyclo[6.3.1.04,12]dodecan-10-yl] acetate
|
10573276 |
Click to see
CC(=O)OC1(C(=O)C2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C)C
|
404.50 |
unknown |
https://doi.org/10.1021/NP960042U |
|
CID 101944737
|
101944737 |
Click to see
|
404.50 |
unknown |
https://doi.org/10.1021/NP50124A010 |
|
CID 15834303
|
15834303 |
Click to see
CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)CC(OC5)OC)C)(C(=O)O2)C)C
|
436.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
|
(1S,4S,8S,12R)-9-[2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
|
163036195 |
Click to see
|
362.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
9-[2-(3-Hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
|
78178066 |
Click to see
|
362.40 |
unknown |
https://doi.org/10.1021/NP9700782 |
|
> Organoheterocyclic compounds / Isobenzofurans
|
|
[1-[7-[3-(furan-3-yl)propanoyl]-3a,7-dimethyl-3-oxo-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]-2-oxopropyl] acetate
|
73104747 |
Click to see
|
404.50 |
unknown |
https://doi.org/10.1021/NP960042U |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
|
6476334 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)OC)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
|
638.60 |
unknown |
https://doi.org/10.1021/NP980376E |
|
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
74027662 |
Click to see
|
638.60 |
unknown |
https://doi.org/10.1021/NP980376E |
|
Leucosceptoside A
|
10394343 |
Click to see
|
638.60 |
unknown |
https://doi.org/10.1021/NP980376E |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
|
Methyl p-coumarate
|
92203 |
Click to see
|
178.18 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
|
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
|
71664720 |
Click to see
|
914.80 |
unknown |
via CMAUP database |
|
Prodelphinidin B3
|
13831068 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
|
Prodelphinidin B4
|
442682 |
Click to see
|
610.50 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
|
Kaempferol
|
5280863 |
Click to see
|
286.24 |
unknown |
via CMAUP database |
|
Myricetin
|
5281672 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
318.23 |
unknown |
via CMAUP database |
|
Quercetin
|
5280343 |
Click to see
|
302.23 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 3-O-p-coumaroyl glycosides / Anthocyanidin 3-O-6-p-coumaroyl glycosides
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
|
118797966 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
595.50 |
unknown |
via CMAUP database |
|
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
|
72193639 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O
|
611.50 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
101942241 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O)O)O)O
|
639.60 |
unknown |
via CMAUP database |
|
Delphinidin 3-O-glucoside cation
|
443650 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O
|
465.40 |
unknown |
via CMAUP database |
|
Delphinidin 3-O-rutinoside
|
5492231 |
Click to see
|
611.50 |
unknown |
via CMAUP database |
|
Keracyanin cation
|
441674 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O
|
595.50 |
unknown |
via CMAUP database |
|
Kuromanin
|
441667 |
Click to see
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
449.40 |
unknown |
via CMAUP database |
|
Malvidin 3-Glucoside
|
443652 |
Click to see
|
493.40 |
unknown |
via CMAUP database |
|
Pelargonidin 3-O-glucoside
|
443648 |
Click to see
|
433.40 |
unknown |
via CMAUP database |
|
pelargonidin 3-O-rutinoside
|
443917 |
Click to see
|
579.50 |
unknown |
via CMAUP database |
|
Peonidin 3-O-rutinoside
|
90470732 |
Click to see
|
609.60 |
unknown |
via CMAUP database |
|
Peonidin-3-glucoside
|
443654 |
Click to see
|
463.40 |
unknown |
via CMAUP database |
|
Petunidin 3-Glucoside
|
443651 |
Click to see
|
479.40 |
unknown |
via CMAUP database |
|
Petunidin 3-rutinoside
|
101949843 |
Click to see
|
625.60 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
|
Myricetin 3'-glucoside
|
5486615 |
Click to see
|
480.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
|
(2S,3S,4R,5R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
101603499 |
Click to see
|
435.40 |
unknown |
via CMAUP database |
|
[3-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
|
101198724 |
Click to see
|
565.50 |
unknown |
via CMAUP database |
|
[7-(4-hydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
|
101198725 |
Click to see
|
581.50 |
unknown |
via CMAUP database |
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
12358426 |
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 |
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
5462193 |
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/NP980376E |
|
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/NP980376E |
|
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 |
via CMAUP database |
|
Isoquercetin
|
5280804 |
Click to see
|
464.40 |
unknown |
via CMAUP database |
|
kaempferol 3-O-beta-L-glucopyranoside
|
9911508 |
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 |
|
myricetin 3-O-alpha-L-glucopyranoside
|
72551451 |
Click to see
|
480.40 |
unknown |
via CMAUP database |
|
myricetin 3-O-beta-D-glucopyranoside
|
5318606 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
480.40 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
|
Genkwanin
|
5281617 |
Click to see
|
284.26 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00045-4 |