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CHEBI:173137 - Afzelechin 7-apioside

ChEBI IDCHEBI:173137
ChEBI NameAfzelechin 7-apioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESOCC1(O)COC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)C3)C1O
InChIInChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2
InChIKeyBJBAEYMVZJJUEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Afzelechin 7-apioside (CHEBI:173137) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
7-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Manual XrefsDatabases
35013267ChemSpider
HMDB0030824HMDB