CHEBI:192525 - 7-carboxymellein(1−)

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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 7-carboxymellein(1−)
ChEBI ID CHEBI:192525
ChEBI ASCII Name 7-carboxymellein(1-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C11H9O5
Net Charge -1
Average Mass 221.189
Monoisotopic Mass 221.04555
InChI InChI=1S/C11H10O5/c1-5-4-6-2-3-7(10(13)14)9(12)8(6)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)/p-1
InChIKey POPKYYDFBOZZGX-UHFFFAOYSA-M
SMILES C(C=1C(O)=C2C(CC(C)OC2=O)=CC1)([O-])=O
ChEBI Ontology
Outgoing 7-carboxymellein(1−) (CHEBI:192525) is a 2-benzopyran (CHEBI:38444)
7-carboxymellein(1−) (CHEBI:192525) is a aromatic carboxylate (CHEBI:91007)
Synonym Source
7-carboxymellein UniProt
Manual Xref Database
CPD-22717 MetaCyc accession
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Citation Waiting for Citations Type Source
30054361 PubMed citation SUBMITTER