CHEBI:173294 - ent-Epicatechin(4alpha->8)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 ent-Epicatechin(4alpha->8)catechin
ChEBI ID CHEBI:173294
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/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2
InChIKey XFZJEEAOWLFHDH-UHFFFAOYSA-N
SMILES O1C(C(O)C(C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4)C=5C1=CC(O)=CC5O)C6=CC(O)=C(O)C=C6
ChEBI Ontology
Outgoing ent-Epicatechin(4alpha->8)catechin (CHEBI:173294) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
115490 ChemSpider
HMDB0037968 HMDB
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Registry Number Type Source
15514-06-4 CAS Registry Number ChemIDplus