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CHEBI:169603 - 3-Oxo-carbofuran

ChEBI IDCHEBI:169603
ChEBI Name3-Oxo-carbofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO4
Net Charge0
Average Mass235.239
Monoisotopic Mass235.08446
SMILESCNC(=O)Oc1cccc2c1OC(C)(C)C2=O
InChIInChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
InChIKeyWXNZYYXXILQTKX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-carbofuran (CHEBI:169603) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2,2-dimethyl-3-oxo-1-benzouran-7-yl) N-methylcarbamate
Manual XrefsDatabases
26043ChemSpider
HMDB0032776HMDB
Registry NumbersSources
CAS:16709-30-1ChemIDplus