CHEBI:191142 - Xanthene-9-carboxylic acid

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 Xanthene-9-carboxylic acid
ChEBI ID CHEBI:191142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H10O3
Net Charge 0
Average Mass 226.231
Monoisotopic Mass 226.06299
InChI InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
InChIKey VSBFNCXKYIEYIS-UHFFFAOYSA-N
SMILES O1C=2C(C(C=3C1=CC=CC3)C(O)=O)=CC=CC2
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Xanthene-9-carboxylic acid (CHEBI:191142) is a xanthenes (CHEBI:38835)
IUPAC Name
9H-xanthene-9-carboxylic acid
Manual Xrefs Databases
59159 ChemSpider
UJQ PDBeChem
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Registry Number Type Source
82-07-5 CAS Registry Number ChemIDplus