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CHEBI:184471 - 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol

ChEBI IDCHEBI:184471
ChEBI Name4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILES[H][C@]1(c2ccc(O)c(OC)c2O)c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
InChIInChI=1S/C22H20O8/c1-29-22-15(25)7-5-13(19(22)27)18-12-4-3-11(23)9-17(12)30-21(20(18)28)10-2-6-14(24)16(26)8-10/h2-9,18,20-21,23-28H,1H3/t18-,20+,21-/m1/s1
InChIKeyLJOUTPJWMNHIAA-HLAWJBBLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol (CHEBI:184471) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
(2R,3S,4S)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
Manual XrefsDatabases
LMPK12020011LIPID MAPS
24842496ChemSpider