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CHEBI:172087 - (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone

ChEBI IDCHEBI:172087
ChEBI Name(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O2
Net Charge0
Average Mass188.226
Monoisotopic Mass188.08373
SMILESCC(C)/C=C1/OC(=O)c2ccccc21
InChIInChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
InChIKeyLYSNVWBBICAAMS-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone (CHEBI:172087) is a isobenzofuranone (CHEBI:55372)
IUPAC Name 
(3E)-3-(2-methylpropylidene)-2-benzouran-1-one
Manual XrefsDatabases
4941245ChemSpider
HMDB0032028HMDB
Registry NumbersSources
CAS:56014-87-0ChemIDplus