CHEBI:169603 - 3-Oxo-carbofuran

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Oxo-carbofuran
ChEBI ID CHEBI:169603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H13NO4
Net Charge 0
Average Mass 235.239
Monoisotopic Mass 235.08446
InChI InChI=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)
InChIKey WXNZYYXXILQTKX-UHFFFAOYSA-N
SMILES O1C(C(=O)C2=C1C(OC(=O)NC)=CC=C2)(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Oxo-carbofuran (CHEBI:169603) is a benzofurans (CHEBI:35259)
IUPAC Name
(2,2-dimethyl-3-oxo-1-benzouran-7-yl) N-methylcarbamate
Manual Xrefs Databases
26043 ChemSpider
HMDB0032776 HMDB
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Registry Number Type Source
16709-30-1 CAS Registry Number ChemIDplus