CHEBI:173293 - Epicatechin-(6'->8)-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-(6'->8)-epicatechin
ChEBI ID CHEBI:173293
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O12
Net Charge 0
Average Mass 578.526
Monoisotopic Mass 578.14243
InChI InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2
InChIKey NFKUCWGVXFRSRX-UHFFFAOYSA-N
SMILES O1C(C(O)CC2=C1C(C=3C(C4OC=5C(CC4O)=C(O)C=C(O)C5)=CC(O)=C(O)C3)=C(O)C=C2O)C6=CC(O)=C(O)C=C6
ChEBI Ontology
Outgoing Epicatechin-(6'->8)-epicatechin (CHEBI:173293) is a catechin (CHEBI:23053)
IUPAC Name
2-(3,4-dihydroxyphenyl)-8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
35013516 ChemSpider
HMDB0032900 HMDB
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