EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197266 - 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone

ChEBI IDCHEBI:197266
ChEBI Name3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O2
Net Charge0
Average Mass190.242
Monoisotopic Mass190.09938
SMILESCC(C)/C=C1/OC(=O)C2=CC=CCC21
InChIInChI=1S/C12H14O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-4,6-9H,5H2,1-2H3/b11-7+
InChIKeyIVZVUDRUEPCTTL-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone (CHEBI:197266) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(3E)-3-(2-methylpropylidene)-3a,4-dihydro-2-benzouran-1-one
Manual XrefsDatabases
HMDB0032027HMDB
35013431ChemSpider