EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173294 - ent-Epicatechin(4alpha->8)catechin

ChEBI IDCHEBI:173294
ChEBI Nameent-Epicatechin(4alpha->8)catechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O12
Net Charge0
Average Mass578.526
Monoisotopic Mass578.14243
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2
InChIInChI=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
InChIKeyXFZJEEAOWLFHDH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0037968HMDB
115490ChemSpider
Registry NumbersSources
CAS:15514-06-4ChemIDplus