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CHEBI:186756 - Puerarin 4'-methyl ether

ChEBI IDCHEBI:186756
ChEBI NamePuerarin 4'-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILES[H][C@@]1(c2c(O)ccc3c(=O)c(-c4ccc(OC)cc4)coc23)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C22H22O9/c1-29-11-4-2-10(3-5-11)13-9-30-21-12(17(13)25)6-7-14(24)16(21)22-20(28)19(27)18(26)15(8-23)31-22/h2-7,9,15,18-20,22-24,26-28H,8H2,1H3/t15?,18-,19+,20?,22+/m1/s1
InChIKeyUWRLUNPRLSNXRR-OEMYLOCWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Puerarin 4'-methyl ether (CHEBI:186756) is a C-glycosyl compound (CHEBI:20857)
Puerarin 4'-methyl ether (CHEBI:186756) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-hydroxy-3-(4-methoxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
LMPK12050010LIPID MAPS
24842683ChemSpider