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CHEBI:179873 - Phylloflavan

ChEBI IDCHEBI:179873
ChEBI NamePhylloflavan
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FormulaC26H26O10
Net Charge0
Average Mass498.484
Monoisotopic Mass498.15260
SMILESO=C(C[C@@H](O)CCc1ccc(O)c(O)c1)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
InChIInChI=1S/C26H26O10/c27-15(4-1-13-2-5-18(29)21(32)7-13)11-25(34)35-24-12-17-20(31)9-16(28)10-23(17)36-26(24)14-3-6-19(30)22(33)8-14/h2-3,5-10,15,24,26-33H,1,4,11-12H2/t15-,24-,26+/m0/s1
InChIKeyFKDRTLFRRHQTGU-TYFWRAIDSA-N
ChEBI Ontology
Outgoing Relation(s)
Phylloflavan (CHEBI:179873) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
Manual XrefsDatabases
402967ChemSpider
LMPK12020109LIPID MAPS
Registry NumbersSources
CAS:98570-83-3ChemIDplus