CHEBI:16445 - stipitatonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name stipitatonic acid
ChEBI ID CHEBI:16445
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9273, CHEBI:15117, CHEBI:26778
Supplier Information
Download Molfile XML SDF
Formula C9H4O6
Net Charge 0
Average Mass 208.12446
Monoisotopic Mass 208.00079
InChI InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)
InChIKey IECSWTFJOUGQFO-UHFFFAOYSA-N
SMILES Oc1cc(=O)c(O)cc2C(=O)OC(=O)c12
ChEBI Ontology
Outgoing stipitatonic acid (CHEBI:16445) is a cyclic dicarboxylic anhydride (CHEBI:36609)
stipitatonic acid (CHEBI:16445) is a cycloheptafuran (CHEBI:39435)
stipitatonic acid (CHEBI:16445) is conjugate acid of stipitaton-4-olate (CHEBI:57775)
Incoming stipitaton-4-olate (CHEBI:57775) is conjugate base of stipitatonic acid (CHEBI:16445)
IUPAC Name
4,7-dihydroxy-1H-cyclohepta[c]furan-1,3,6-trione
Synonyms Sources
3,6-dihydroxy-5-oxo-1,3,6-cycloheptatriene-1,2-dicarboxylic anhydride ChemIDplus
3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylic anhydride ChEBI
Stipitatonate KEGG COMPOUND
stipitatonic acid ChemIDplus
Manual Xref Database
C02080 KEGG COMPOUND
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Registry Number Type Source
606-39-3 CAS Registry Number ChemIDplus
Last Modified
23 December 2018