CHEBI:178338 - 1,4-Benzodioxin-2(3H)-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 1,4-Benzodioxin-2(3H)-one
ChEBI ID CHEBI:178338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H6O3
Net Charge 0
Average Mass 150.133
Monoisotopic Mass 150.03169
InChI InChI=1S/C8H6O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
InChIKey ULEKGOXADQVOIF-UHFFFAOYSA-N
SMILES O1C=2C(OC(=O)C1)=CC=CC2
ChEBI Ontology
Outgoing 1,4-Benzodioxin-2(3H)-one (CHEBI:178338) is a benzodioxine (CHEBI:64096)
IUPAC Name
1,4-benzodioxin-3-one
Manual Xrefs Databases
3873404 ChemSpider
HMDB0040528 HMDB
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