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CHEBI:168316 - Epicatechin-(2beta->7,4beta->6)-catechin

ChEBI IDCHEBI:168316
ChEBI NameEpicatechin-(2beta->7,4beta->6)-catechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O12
Net Charge0
Average Mass576.510
Monoisotopic Mass576.12678
SMILESOc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc4c(c(O)c3C2C1O)CC(O)C(c1ccc(O)c(O)c1)O4
InChIInChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2
InChIKeyBEPYKTSNKZMROV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Epicatechin-(2beta->7,4beta->6)-catechin (CHEBI:168316) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
Manual XrefsDatabases
35013774ChemSpider
HMDB0034707HMDB