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CHEBI:217781 - (-)-3-butyl-7-hydroxyphthalide

ChEBI IDCHEBI:217781
ChEBI Name(-)-3-butyl-7-hydroxyphthalide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCCCC[C@@H]1OC(=O)c2c(O)cccc21
InChIInChI=1S/C12H14O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-6,10,13H,2-3,7H2,1H3/t10-/m0/s1
InChIKeyUWGOKYNWVHSOJQ-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium vulpinum (ncbitaxon:29845) - DOI (10.1007/s10600-015-1214-y)
ChEBI Ontology
Outgoing Relation(s)
(-)-3-butyl-7-hydroxyphthalide (CHEBI:217781) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-butyl-7-hydroxy-3H-2-benzouran-1-one
Manual XrefsDatabases
9508160ChemSpider