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

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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->5,4beta->6)-ent-epicatechin
ChEBI ID CHEBI:168370
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)24-23(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
InChIKey SHYPVJZSIOEHJY-UHFFFAOYSA-N
SMILES O1C2(OC=3C(C(C2O)C4=C1C=5CC(O)C(OC5C=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->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 Xrefs Databases
35014999 ChemSpider
HMDB0040678 HMDB
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