> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Phthalate esters / m-Phthalate esters
|
(3R)-1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-5-carboxylic acid methyl ester
|
44577732 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)OC
|
236.22 |
unknown |
https://doi.org/10.1021/NP800192F |
Methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylate
|
5242128 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C(=O)OC
|
236.22 |
unknown |
https://doi.org/10.1021/NP800192F |
> Benzenoids / Phenols / Methoxyphenols
|
Dihydroconiferyl alcohol
|
16822 |
Click to see
COC1=C(C=CC(=C1)CCCO)O
|
182.22 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
N-(4-Hydroxy-2-methoxyphenyl)acetamide
|
68646525 |
Click to see
CC(=O)NC1=C(C=C(C=C1)O)OC
|
181.19 |
unknown |
via CMAUP database |
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
|
Tyrosol
|
10393 |
Click to see
C1=CC(=CC=C1CCO)O
|
138.16 |
unknown |
https://doi.org/10.1021/NP800192F |
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
|
(6S)-3-Methoxy-6alpha,7alpha-bis(hydroxymethyl)-8beta-(3-methoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-naphthol
|
12311071 |
Click to see
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
|
360.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Isolariciresinol (6CI); (+)-Cyclolariciresinol; (+)-Isolariciresinol; Isolariciresinol, (+)-;-Conidendryl alcohol
|
4177125 |
Click to see
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
|
360.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
|
2,3-bis(4-Hydroxy-3-methoxybenzyl)butane-1,4-diol
|
586372 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
|
362.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
meso-Secoisolariciresinol
|
11552274 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O
|
362.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
234817 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
|
4-[(2S,3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
|
163011079 |
Click to see
COC1=C(C=CC(=C1)C2C(C(C(O2)C3=CC(=C(C=C3)O)OC)CO)CO)O
|
376.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-[5-(4-Hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
|
12313720 |
Click to see
COC1=C(C=CC(=C1)C2C(C(C(O2)C3=CC(=C(C=C3)O)OC)CO)CO)O
|
376.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
(3R,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
36688829 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3,4-Bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
345761 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lignans, neolignans and related compounds / Lignan glycosides
|
(2R,3R,4S,5S,6R)-2-[(2R,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163014942 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)COC3C(C(C(C(O3)CO)O)O)O)O
|
524.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162952251 |
Click to see
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
526.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(2S,3R,4S,5S,6R)-2-[4-[(2R)-3-hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162931558 |
Click to see
COC1=C(C=CC(=C1)CC(CO)OC2=C(C=C(C=C2)CCCO)O)OC3C(C(C(C(O3)CO)O)O)O
|
510.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(2S,3R,4S,5S,6R)-2-[4-[(2S)-3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162915237 |
Click to see
COC1=C(C=CC(=C1)CCCO)OC(CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)CO
|
524.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(8R,8'R)-Secoisolariciresinol 9-glucoside
|
14704357 |
Click to see
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)COC3C(C(C(C(O3)CO)O)O)O)O
|
524.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
[(1R)-3aalpha,4,6,6aalpha-Tetrahydro-1H,3H-furo[3,4-c]furan-1alpha,4alpha-diyl]bis(2-methoxy-4,1-phenylene)bis(beta-D-glucopyranoside)
|
45482330 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC6C(C(C(C(O6)CO)O)O)O
|
682.70 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(Hydroxymethyl)-6-[2-methoxy-4-[6-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]phenoxy]oxane-3,4,5-triol
|
13991179 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC6C(C(C(C(O6)CO)O)O)O
|
682.70 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-[4-[1,3-Dihydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
76448221 |
Click to see
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
526.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-[4-[3-Hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162931557 |
Click to see
COC1=C(C=CC(=C1)CC(CO)OC2=C(C=C(C=C2)CCCO)O)OC3C(C(C(C(O3)CO)O)O)O
|
510.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-[4-[3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
162915236 |
Click to see
COC1=C(C=CC(=C1)CCCO)OC(CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)CO
|
524.60 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
|
Methyl triacontanoate
|
12400 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
|
466.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
(R)-nonacosan-10-ol
|
342803 |
Click to see
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
|
424.80 |
unknown |
via CMAUP database |
Nonacosan-10-ol
|
25240035 |
Click to see
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
|
424.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82346-8 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
|
Triacontanal
|
3084375 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
|
436.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)82346-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/02773818708085272 |
Camphor
|
2537 |
Click to see
CC1(C2CCC1(C(=O)C2)C)C
|
152.23 |
unknown |
https://doi.org/10.1080/02773818708085272 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://doi.org/10.1080/02773818708085272 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
|
23724772 |
Click to see
CC(=CCCC(=CC(=O)O)C)CCC(C(C)(C)O)O
|
270.36 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
1,1,4,7-Tetramethyl-1a,2,3,5,7a,7b-hexahydrocyclopropa[e]azulene
|
73804544 |
Click to see
CC1=C2CC=C(C2C3C(C3(C)C)CC1)C
|
202.33 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
|
L-Cysteic acid
|
72886 |
Click to see
C(C(C(=O)O)N)S(=O)(=O)O
|
169.16 |
unknown |
https://doi.org/10.1016/S0021-9673(01)97854-9 |
Lysine
|
5962 |
Click to see
C(CCN)CC(C(=O)O)N
|
146.19 |
unknown |
https://doi.org/10.1016/S0021-9673(01)97854-9 |
> Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives
|
2-Oxo-5-guanidinopentanoate
|
25244978 |
Click to see
C(CC(=O)C(=O)[O-])C[NH+]=C(N)N
|
173.17 |
unknown |
via CMAUP database |
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
|
1,4-Diaminobutane
|
1045 |
Click to see
C(CCN)CN
|
88.15 |
unknown |
https://doi.org/10.1007/BF00232981 |
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
|
Spermidine
|
1102 |
Click to see
C(CCNCCCN)CN
|
145.25 |
unknown |
https://doi.org/10.1007/BF00232981 |
Spermine
|
1103 |
Click to see
C(CCNCCCN)CNCCCN
|
202.34 |
unknown |
https://doi.org/10.1007/BF00232981 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
|
(1S,4aalpha)-1beta-(Hydroxymethyl)-2,5,5,8abeta-tetramethyldecahydronaphthalene-2beta,3alpha-diol
|
11032509 |
Click to see
CC1(CCCC2(C1CC(C(C2CO)(C)O)O)C)C
|
256.38 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
4-O-(beta-D-Mannopyranosyl)-beta-D-glucopyranose
|
42552697 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1021/JA01496A038 |
4-O-beta-D-mannopyranosyl-alpha-D-mannopyranose
|
5288769 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1021/JA01496A038 |
beta-D-glucosyl-(1->4)-alpha-D-mannose
|
23657860 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1021/JA01496A038 |
Cellobiose
|
294 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1021/JA01496A038 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol
|
162879485 |
Click to see
C1=CC(=CC=C1CCCO)OC2C(C(C(C(O2)CO)O)O)O
|
314.33 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
|
592447 |
Click to see
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
|
12306788 |
Click to see
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
|
328.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
1-[4-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
|
12314758 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxane-3,4,5-triol
|
3496897 |
Click to see
COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
|
342.34 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)phenoxy]oxane-3,4,5-triol
|
5254324 |
Click to see
C1=CC(=CC=C1C=CCO)OC2C(C(C(C(O2)CO)O)O)O
|
312.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(Hydroxymethyl)-6-[4-(3-hydroxypropyl)-2-methoxyphenoxy]oxane-3,4,5-triol
|
14427335 |
Click to see
COC1=C(C=CC(=C1)CCCO)OC2C(C(C(C(O2)CO)O)O)O
|
344.36 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(Hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol
|
162879484 |
Click to see
C1=CC(=CC=C1CCCO)OC2C(C(C(C(O2)CO)O)O)O
|
314.33 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[3-Hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
271602 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
|
162855570 |
Click to see
COC1=C(C=CC(=C1)CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
358.34 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
73021256 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
356.32 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
|
162855569 |
Click to see
COC1=C(C=CC(=C1)CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
358.34 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[4-(beta-D-Glucopyranosyloxy)phenyl]propionic acid
|
101928034 |
Click to see
C1=CC(=CC=C1CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
328.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
73208527 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
326.30 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
|
156602902 |
Click to see
C1=CC(=CC=C1CCC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
328.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-(beta-D-glucosyloxy)benzoic acid
|
440186 |
Click to see
C1=CC(=CC=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-Acetylphenyl hexopyranoside
|
539591 |
Click to see
CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
|
298.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-Hydroxybenzoic acid glucoside
|
3320872 |
Click to see
C1=CC(=CC=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-O-beta-D-glucosyl-4-coumaric acid
|
9840292 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
326.30 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Androsin
|
164648 |
Click to see
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
|
328.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Coniferin
|
5280372 |
Click to see
COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
|
342.34 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Cynanoneside A
|
21591970 |
Click to see
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Dihydroconiferin
|
14427336 |
Click to see
COC1=C(C=CC(=C1)CCCO)OC2C(C(C(C(O2)CO)O)O)O
|
344.36 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Lavandoside
|
13916049 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
356.32 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Linocaffein
|
14825516 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
|
342.30 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
p-Coumaryl alcohol 4-O-glucoside
|
5280847 |
Click to see
C1=CC(=CC=C1C=CCO)OC2C(C(C(C(O2)CO)O)O)O
|
312.31 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Picein
|
92123 |
Click to see
CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
|
298.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Protocatechuic acid 4-glucoside
|
91309592 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Protocatechuic acid 4-glucoside
|
157010113 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Pungenin
|
12314759 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
|
314.29 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
Maltotetraose
|
870 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
|
666.60 |
unknown |
https://doi.org/10.1021/JA01496A038 |
Maltotriose
|
871 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
|
504.40 |
unknown |
https://doi.org/10.1021/JA01496A038 |
Man(b1-4)Man(b1-4)a-Man
|
91854746 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
|
504.40 |
unknown |
https://doi.org/10.1021/JA01496A038 |
Man(b1-4)Man(b1-4)Man(b1-4)a-Man
|
162975811 |
Click to see
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
|
666.60 |
unknown |
https://doi.org/10.1021/JA01496A038 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
|
4-Hydroxybenzaldehyde
|
126 |
Click to see
C1=CC(=CC=C1C=O)O
|
122.12 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
2,4-Dimethoxy-6-acetylbenzoic acid
|
44577695 |
Click to see
CC(=O)C1=C(C(=CC(=C1)OC)OC)C(=O)O
|
224.21 |
unknown |
via CMAUP database |
2,4-Dimethoxy-6-acetylbenzoic acid methyl ester
|
44577731 |
Click to see
CC(=O)C1=C(C(=CC(=C1)OC)OC)C(=O)OC
|
238.24 |
unknown |
https://doi.org/10.1021/NP800192F |
3',4'-Dihydroxyacetophenone
|
14530 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)O
|
152.15 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4'-Hydroxyacetophenone
|
7469 |
Click to see
CC(=O)C1=CC=C(C=C1)O
|
136.15 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Acetovanillone
|
2214 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC
|
166.17 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
|
(3S)-5,7-dimethoxy-3-methyl-3H-2-benzofuran-1-one
|
163189303 |
Click to see
CC1C2=C(C(=CC(=C2)OC)OC)C(=O)O1
|
208.21 |
unknown |
https://doi.org/10.1021/NP800192F |
3-Methyl-5,7-dimethoxyphthalide
|
12243184 |
Click to see
CC1C2=C(C(=CC(=C2)OC)OC)C(=O)O1
|
208.21 |
unknown |
https://doi.org/10.1021/NP800192F |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
|
2,8-Dihydroxy-3-methyl-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
|
44577694 |
Click to see
CC1=CC2=C(C(=C1O)C(=O)OC)C(=O)C3=C(C=CC=C3O2)O
|
300.26 |
unknown |
https://doi.org/10.1021/NP800192F |
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
|
(3R)-1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-5-carbaldehyde
|
44577733 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C=O
|
206.19 |
unknown |
https://doi.org/10.1021/NP800192F |
(3R)-3-Propyl-6-methoxy-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
|
15391028 |
Click to see
CCCC1CC2=C(C(=CC(=C2)OC)O)C(=O)O1
|
236.26 |
unknown |
https://doi.org/10.1021/NP800192F |
(3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
|
114679 |
Click to see
CC1CC2=C(C(=CC=C2)O)C(=O)O1
|
178.18 |
unknown |
https://doi.org/10.1021/NP800192F |
3,4-Dihydro-8-hydroxy-3,5-dimethylisocoumarin
|
10330203 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C
|
192.21 |
unknown |
https://doi.org/10.1021/NP800192F |
5-Formyl-8-hydroxy-3-methyl-3,4-dihydroisocoumarin
|
44423672 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C=O
|
206.19 |
unknown |
https://doi.org/10.1021/NP800192F |
5-Methylmellein
|
14807789 |
Click to see
CC1CC2=C(C=CC(=C2C(=O)O1)O)C
|
192.21 |
unknown |
https://doi.org/10.1021/NP800192F |
8-Hydroxy-6-methoxy-3-propyl-3,4-dihydroisochromen-1-one
|
23241778 |
Click to see
CCCC1CC2=C(C(=CC(=C2)OC)O)C(=O)O1
|
236.26 |
unknown |
https://doi.org/10.1021/NP800192F |
Mellein
|
28516 |
Click to see
CC1CC2=C(C(=CC=C2)O)C(=O)O1
|
178.18 |
unknown |
https://doi.org/10.1021/NP800192F |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
|
3-Butyl-4-methyl-2(5H)-furanone
|
14616858 |
Click to see
CCCCC1=C(COC1=O)C
|
154.21 |
unknown |
https://doi.org/10.1021/NP800192F |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
Trans-3-methyldodec-cis-6-en-4-olide
|
101251213 |
Click to see
CCCCCC=CCC1C(CC(=O)O1)C
|
210.31 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Piperidines
|
(+)-6-Epi-9-epipinidinol
|
10866594 |
Click to see
CC1CCCC(N1)CC(C)O
|
157.25 |
unknown |
via CMAUP database |
2-Methyl-6-(2-hydroxypropyl)piperidine
|
427150 |
Click to see
CC1CCCC(N1)CC(C)O
|
157.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)90645-9 |
Pinidinol
|
182960 |
Click to see
CC1CCCC(N1)CC(C)O
|
157.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
(-)-Dehydrodiconiferyl Alcohol
|
11078843 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CCO
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(2R)-2beta-[3-Methoxy-4-(beta-D-glucopyranosyloxy)phenyl]-5-(3-hydroxypropyl)-7-hydroxy-2,3-dihydrobenzofuran-3alpha-methanol
|
101165148 |
Click to see
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC4C(C(C(C(O4)CO)O)O)O
|
508.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
(2R)-2beta-[3-Methoxy-4-(beta-D-glucopyranosyloxy)phenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-3alpha-methanol
|
10625848 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO
|
522.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol
|
187915 |
Click to see
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
|
346.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
45782907 |
Click to see
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC4C(C(C(C(O4)CO)O)O)O
|
508.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
2,3-Dihydro-2beta-(4-hydroxy-3-methoxyphenyl)-3beta-(hydroxymethyl)-5-(3-hydroxypropyl)benzofuran-7-ol
|
101992982 |
Click to see
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O
|
346.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
|
4365980 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO
|
360.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
5-O-Methylhierochin D
|
188976 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CCO
|
358.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Dihydrodehydroconiferyl alcohol 4-O-glucoside
|
14681438 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO
|
522.50 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Dihydrodehydrodiconiferyl alcohol
|
384679 |
Click to see
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO
|
360.40 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
709 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-Hydroxycinnamic acid
|
322 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Phenylpropanoids and polyketides / Isocoumarins and derivatives
|
Sescandelin
|
10998597 |
Click to see
CC(C1=COC(=O)C2=C1C=C(C=C2O)O)O
|
222.19 |
unknown |
via CMAUP database |
Sescandelin B
|
71435035 |
Click to see
CC1=C(C2=C(C(=CC(=C2)O)O)C(=O)O1)CO
|
222.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Macrolides and analogues
|
Ccris 6971
|
11101249 |
Click to see
CC(=O)CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)CC(=O)C
|
392.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Phenylpropanoic acids
|
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
|
14340 |
Click to see
COC1=C(C=CC(=C1)CCC(=O)O)O
|
196.20 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
3-(4-Hydroxyphenyl)propionic acid
|
10394 |
Click to see
C1=CC(=CC=C1CCC(=O)O)O
|
166.17 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
> Phenylpropanoids and polyketides / Stilbenes
|
4-[2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,2-diol
|
4813 |
Click to see
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O
|
244.24 |
unknown |
https://doi.org/10.1002/PTR.5185 https://doi.org/10.3892/MMR.2015.4156 https://doi.org/10.1002/MNFR.200700252 https://doi.org/10.1002/PROS.22801 |
Piceatannol
|
667639 |
Click to see
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O
|
244.24 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7838451/ https://doi.org/10.1093/CARCIN/BGQ099 https://doi.org/10.1016/J.BMCL.2006.01.043 https://doi.org/10.1016/J.BBRC.2014.08.150 https://doi.org/10.1016/J.JCHROMB.2007.03.007 https://doi.org/10.3892/IJMM.2013.1283 https://doi.org/10.1046/J.1365-2222.2001.01236.X |
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
|
2-[3-Hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
5090283 |
Click to see
COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
|
420.40 |
unknown |
https://doi.org/10.1139/V68-414 |
Isorhapontin
|
5281716 |
Click to see
COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
|
420.40 |
unknown |
https://doi.org/10.1139/V68-414 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
14132336 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
|
14132337 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/S0031-9422(96)00388-3 |