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CHEBI:185734 - Shoyuflavone C

ChEBI IDCHEBI:185734
ChEBI NameShoyuflavone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O11
Net Charge0
Average Mass418.310
Monoisotopic Mass418.05361
SMILESO=C(O)C(O)C(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1O)C(=O)O
InChIInChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28)
InChIKeyDGJSSBCAHRQASY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Shoyuflavone C (CHEBI:185734) is a isoflavones (CHEBI:38757)
IUPAC Name 
2-[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3-hydroxybutanedioic acid
Manual XrefsDatabases
8246158ChemSpider
HMDB0034590HMDB