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4'-O-methyl-(-)-epicatechin

PropertiesImage
MNX_IDMNXM117719 Image of MNXM117719
referencechebi:174910
formulaC16H16O6
global charge0
mol weight304.298
InChIKeyZHDMPVIDHWJGTN-CZUORRHYSA-N
InChIInChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
SMILESCOC1=C(O)C=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC(O)=C3)C=C1
MNX internals
InChI (mnx)InChI=1/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1 Image of MNXM117719
SMILES (mnx)[CH3:1][O:21][C:14]1=[C:12]([OH:19])[CH:4]=[C:8]([C@@H:16]2[C@H:13]([OH:20])[CH2:7][C:10]3=[C:11]([OH:18])[CH:5]=[C:9]([OH:17])[CH:6]=[C:15]3[O:22]2)[CH:2]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174910
chebi:174910
ZHDMPVIDHWJGTN-CZUORRHYSA-N 		4'-O-methyl-(-)-epicatechin
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2R,3R)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol
(2R-cis)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol
4'-O-methyl-epicatechin
4'-O-methylepicatechin
4'-methylepicatechin
hmdb:HMDB0029179
ZHDMPVIDHWJGTN-CZUORRHYSA-N 		4'-O-methyl-(-)-epicatechin
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

hmdb:HMDB29179 		secondary/obsolete/fantasy identifier