CHEBI:169487 - Epigallocatechin-(4beta->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 Epigallocatechin-(4beta->8)-catechin
ChEBI ID CHEBI:169487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O13
Net Charge 0
Average Mass 594.525
Monoisotopic Mass 594.13734
InChI InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2
InChIKey ZYDDITZPGFXQSD-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(O)=C6
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 Epigallocatechin-(4beta->8)-catechin (CHEBI:169487) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name
2-(3,4-dihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
35014448 ChemSpider
HMDB0037651 HMDB
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