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CHEBI:187831 - Phylloflavanine

ChEBI IDCHEBI:187831
ChEBI NamePhylloflavanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H32O13
Net Charge0
Average Mass660.628
Monoisotopic Mass660.18429
SMILESO=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](OC(=O)C[C@@H](O)CCc2ccc(O)c(O)c2)C3)O1
InChIInChI=1S/C35H32O13/c36-19(5-1-16-2-6-22(37)26(41)9-16)12-31(44)47-30-13-21-25(40)15-29-33(35(21)48-34(30)18-4-8-24(39)28(43)11-18)20(14-32(45)46-29)17-3-7-23(38)27(42)10-17/h2-4,6-11,15,19-20,30,34,36-43H,1,5,12-14H2/t19-,20+,30-,34+/m0/s1
InChIKeyDMXDVZLRUVUDMI-HQBMUOBESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Phylloflavanine (CHEBI:187831) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3S,10R)-2,10-bis(3,4-dihydroxyphenyl)-5-hydroxy-8-oxo-3,4,9,10-tetrahydro-2H-pyrano[2,3-]chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
Manual XrefsDatabases
24842552ChemSpider
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