CHEBI:224983 - Chlorogentisylquinone

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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 Chlorogentisylquinone
ChEBI ID CHEBI:224983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H5ClO3
Net Charge 0
Average Mass 172.560
Monoisotopic Mass 171.99272
InChI InChI=1S/C7H5ClO3/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2,9H,3H2
InChIKey AGIRBSHCJNCQAK-UHFFFAOYSA-N
SMILES ClC=1C(=O)C(=CC(C1)=O)CO
ChEBI Ontology
Outgoing Chlorogentisylquinone (CHEBI:224983) is a p-quinones (CHEBI:25830)
Chlorogentisylquinone (CHEBI:224983) is a benzoquinones (CHEBI:22729)
IUPAC Name
2-chloro-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Manual Xref Database
7969740 ChemSpider
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