CHEBI:191073 - Bromoenol lactone

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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 Bromoenol lactone
ChEBI ID CHEBI:191073
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H13BrO2
Net Charge 0
Average Mass 317.182
Monoisotopic Mass 316.00989
InChI InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
InChIKey BYUCSFWXCMTYOI-ZRDIBKRKSA-N
SMILES Br\C=C/1\OC(=O)C(CC1)C=2C=3C(C=CC2)=CC=CC3
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Bromoenol lactone (CHEBI:191073) is a naphthalenes (CHEBI:25477)
IUPAC Name
(6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Manual Xref Database
4757566 ChemSpider
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Registry Number Type Source
88070-98-8 CAS Registry Number ChemIDplus