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CHEBI:172791 - ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)

ChEBI IDCHEBI:172791
ChEBI Nameent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H28O12
Net Charge0
Average Mass664.619
Monoisotopic Mass664.15808
SMILESO=C(OC1C2c3c(O)cc(O)cc3OC1(c1ccc(O)cc1)Oc1cc(O)c3c(c12)OC(c1ccc(O)cc1)C(O)C3)c1ccc(O)cc1
InChIInChI=1S/C37H28O12/c38-20-7-1-17(2-8-20)33-27(44)15-24-25(42)16-29-31(34(24)46-33)32-30-26(43)13-23(41)14-28(30)48-37(49-29,19-5-11-22(40)12-6-19)35(32)47-36(45)18-3-9-21(39)10-4-18/h1-14,16,27,32-33,35,38-44H,15H2
InChIKeyDQRKXIHYAURKFL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) (CHEBI:172791) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
[6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate
Manual XrefsDatabases
HMDB0032793HMDB
35013494ChemSpider