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CHEBI:168370 - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin

ChEBI IDCHEBI:168370
ChEBI NameEpicatechin-(2beta->5,4beta->6)-ent-epicatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O12
Net Charge0
Average Mass576.510
Monoisotopic Mass576.12678
SMILESOc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3c4c(cc(O)c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4
InChIInChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2
InChIKeySHYPVJZSIOEHJY-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->5,4beta->6)-ent-epicatechin (CHEBI:168370) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),15,17,19-hexaene-3,8,17,19,21-pentol
Manual XrefsDatabases
35014999ChemSpider
HMDB0040678HMDB