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CHEBI:197139 - 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone

ChEBI IDCHEBI:197139
ChEBI Name3-(3-Methylbutylidene)-1(3H)-isobenzofuranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O2
Net Charge0
Average Mass202.253
Monoisotopic Mass202.09938
SMILESCC(C)C/C=C1\OC(=O)c2ccccc21
InChIInChI=1S/C13H14O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15-12/h3-6,8-9H,7H2,1-2H3/b12-8-
InChIKeyLLCYNDRFWDIIQS-WQLSENKSSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
3-(3-Methylbutylidene)-1(3H)-isobenzofuranone (CHEBI:197139) is a isobenzofuranone (CHEBI:55372)
IUPAC Name 
(3Z)-3-(3-methylbutylidene)-2-benzouran-1-one
Manual XrefsDatabases
HMDB0031663HMDB
9053492ChemSpider