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CHEBI:208203 - (S)-3-Butyl-7-methoxyphthalide

ChEBI IDCHEBI:208203
ChEBI Name(S)-3-Butyl-7-methoxyphthalide
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SubmitterMetaboLights
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FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESCCCC[C@@H]1OC(=O)c2c(OC)cccc21
InChIInChI=1S/C13H16O3/c1-3-4-7-10-9-6-5-8-11(15-2)12(9)13(14)16-10/h5-6,8,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyGDMDPSVIWARJGW-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-3-Butyl-7-methoxyphthalide (CHEBI:208203) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-butyl-7-methoxy-3H-2-benzouran-1-one
Manual XrefsDatabases
27023192ChemSpider