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CHEBI:193267 - 5-hydroxy-3-[(1E)-3-hydroxybut-1-en-1-yl]-1H-isochromen-1-one

ChEBI IDCHEBI:193267
ChEBI Name5-hydroxy-3-[(1E)-3-hydroxybut-1-en-1-yl]-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESCC(O)/C=C/c1cc2c(O)cccc2c(=O)o1
InChIInChI=1S/C13H12O4/c1-8(14)5-6-9-7-11-10(13(16)17-9)3-2-4-12(11)15/h2-8,14-15H,1H3/b6-5+
InChIKeyVNLKSKKMGSXZRT-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-3-[(1E)-3-hydroxybut-1-en-1-yl]-1H-isochromen-1-one (CHEBI:193267) is a isocoumarins (CHEBI:38758)
IUPAC Name 
5-hydroxy-3-[(E)-3-hydroxybut-1-enyl]isochromen-1-one
Manual XrefsDatabases
74852716ChemSpider