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3-Galloylcatechin

PropertiesImage
MNX_IDMNXM117427 Image of MNXM117427
referencechebi:191849
formulaC22H18O10
global charge0
mol weight442.376
InChIKeyLSHVYAFMTMFKBA-UHFFFAOYSA-N
InChIInChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2
SMILESO=C(OC1CC2=C(C=C(O)C=C2O)OC1C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19?,21? Image of MNXM117427
SMILES (mnx)[CH:1]1=[CH:2][C:13]([OH:24])=[C:15]([OH:26])[CH:3]=[C:9]1[CH:21]1[CH:19]([O:32][C:22]([C:10]2=[CH:4][C:16]([OH:27])=[C:20]([OH:29])[C:17]([OH:28])=[CH:5]2)=[O:30])[CH2:8][C:12]2=[C:14]([OH:25])[CH:6]=[C:11]([OH:23])[CH:7]=[C:18]2[O:31]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:191849
chebi:191849
LSHVYAFMTMFKBA-UHFFFAOYSA-N 		3-Galloylcatechin
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
hmdb:HMDB0030661
LSHVYAFMTMFKBA-UHFFFAOYSA-N 		3-Galloylcatechin
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Catechin 3-O-gallate
Catechin 3-gallic acid
Catechin gallate
Epicatechin gallate
Epicatechin gallate, (2R-cis)-isomer
Epicatechin-3-O-gallate
Epicatechin-3-gallate
Epicatechin-3-galloyl ester
epicatechin gallate

hmdb:HMDB30661 		secondary/obsolete/fantasy identifier