CHEBI:172755 - Epitheaflavic acid 3'-gallate

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ChEBI Name Epitheaflavic acid 3'-gallate
ChEBI ID CHEBI:172755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H20O14
Net Charge 0
Average Mass 580.454
Monoisotopic Mass 580.08531
InChI InChI=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)
InChIKey RQTWDINIJYBFNS-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)C=4C5=C(C(O)=C(O)C4)C(=O)C(O)=CC(=C5)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014971 ChemSpider
HMDB0040610 HMDB
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