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CHEBI:172755 - Epitheaflavic acid 3'-gallate

ChEBI IDCHEBI:172755
ChEBI NameEpitheaflavic acid 3'-gallate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H20O14
Net Charge0
Average Mass580.454
Monoisotopic Mass580.08531
SMILESO=C(O)c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1
InChIInChI=1S/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39)
InChIKeyRQTWDINIJYBFNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Epitheaflavic acid 3'-gallate (CHEBI:172755) is a catechin (CHEBI:23053)
IUPAC Name 
1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid
Manual XrefsDatabases
HMDB0040610HMDB
35014971ChemSpider