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CHEBI:187235 - 3'-Deoxydryopteric acid

ChEBI IDCHEBI:187235
ChEBI Name3'-Deoxydryopteric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O7
Net Charge0
Average Mass332.308
Monoisotopic Mass332.08960
SMILESO=C(O)C[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O
InChIInChI=1S/C17H16O7/c18-9-3-1-8(2-4-9)17-16(23)11(7-14(21)22)15-12(20)5-10(19)6-13(15)24-17/h1-6,11,16-20,23H,7H2,(H,21,22)/t11-,16+,17+/m0/s1
InChIKeyFCSOHSUDNFXNPU-YMRXKLBXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3'-Deoxydryopteric acid (CHEBI:187235) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
2-[(2R,3R,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
Manual XrefsDatabases
8263655ChemSpider
LMPK12020034LIPID MAPS