CHEBI:15957 - stipitatic acid

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ChEBI Name stipitatic acid ChEBI ID CHEBI:15957 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9272, CHEBI:15116, CHEBI:26777 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H6O5 Net Charge 0 Average Mass 182.13024 Monoisotopic Mass 182.02152 InChI InChI=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) InChIKey ANEBWDNUQVPSJT-UHFFFAOYSA-N SMILES OC(=O)c1cc(O)cc(=O)c(O)c1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing stipitatic acid (CHEBI:15957) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519) stipitatic acid (CHEBI:15957) is a monocarboxylic acid (CHEBI:25384) stipitatic acid (CHEBI:15957) is conjugate acid of stipitatate(1−) (CHEBI:77842) stipitatic acid (CHEBI:15957) is conjugate acid of stipitatate(2−) (CHEBI:57587) Incoming stipitatate(1−) (CHEBI:77842) is conjugate base of stipitatic acid (CHEBI:15957) stipitatate(2−) (CHEBI:57587) is conjugate base of stipitatic acid (CHEBI:15957) IUPAC Name 3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid Synonyms Sources Stipitatate KEGG COMPOUND Stipitatic acid KEGG COMPOUND Manual Xref Database C01853 KEGG COMPOUND View more database links Registry Numbers Types Sources 2723909 Beilstein Registry Number Beilstein 4440-39-5 CAS Registry Number KEGG COMPOUND 4440-39-5 CAS Registry Number ChemIDplus Last Modified 15 January 2019