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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epicatechin-(2beta->7,4beta->6)-catechin
ChEBI ID CHEBI:168316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H24O12
Net Charge 0
Average Mass 576.510
Monoisotopic Mass 576.12678
InChI InChI=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
InChIKey BEPYKTSNKZMROV-UHFFFAOYSA-N
SMILES O1C2(OC=3C(C(C2O)C4=C1C=C5OC(C(O)CC5=C4O)C6=CC(O)=C(O)C=C6)=C(O)C=C(O)C3)C7=CC(O)=C(O)C=C7
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35013774 ChemSpider
HMDB0034707 HMDB
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