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CHEBI:15957 - stipitatic acid

ChEBI IDCHEBI:15957
ChEBI Namestipitatic acid
Stars
DefinitionA derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6.
Secondary ChEBI IDsCHEBI:9272, CHEBI:15116, CHEBI:26777
Last Modified15 January 2019
DownloadsMolfile

FormulaC8H6O5
Net Charge0
Average Mass182.131
Monoisotopic Mass182.02152
SMILESO=C(O)c1cc(O)cc(=O)c(O)c1
InChIInChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)
InChIKeyANEBWDNUQVPSJT-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
Synonyms  Source
StipitatateKEGG COMPOUND
Stipitatic acidKEGG COMPOUND
Manual XrefsDatabases
C01853KEGG COMPOUND
C01853KEGG COMPOUND
Registry NumbersSources
Beilstein:2723909Beilstein
CAS:4440-39-5KEGG COMPOUND
CAS:4440-39-5ChemIDplus