ChEFS (Wedge)

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stipitaton-4-olate
"Conjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3."

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04. Bioactive Capabilities of Specific Chemicals

			Lyases [EC:4] (743)

				Carbon-carbon lyases [EC:4.1] (299)

					Carboxy-Lyases [EC:4.1.1] (172)

						Stipitatonate decarboxylase [EC:4.1.1.60] (5)

stipitaton-4-olate [CHEBI:57775] (1)

08. Chemical Category

			ion [CHEBI:24870] (4391)

					anion [CHEBI:22563] (3454)

							organic anion [CHEBI:25696] (3155)

stipitaton-4-olate [CHEBI:57775] (1)

					organic ion [CHEBI:25699] (3577)

						organic anion [CHEBI:25696] (3155)

stipitaton-4-olate [CHEBI:57775] (1)

			main group molecular entity [CHEBI:33579] (25650)

				p-block molecular entity [CHEBI:33675] (25343)

					carbon group molecular entity [CHEBI:33582] (23847)

						organic molecular entity [CHEBI:50860] (23769)

							organic ion [CHEBI:25699] (3577)

								organic anion [CHEBI:25696] (3155)

stipitaton-4-olate [CHEBI:57775] (1)

ChEBI Compound Accession Identifier:

[CHEBI:57775]

ChEBI Compound Description:

"Conjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3."

ChEBI Compound Identification Number:

57775

ChEBI InChI Value:

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)/p-1

ChEBI InChIKey Value:

IECSWTFJOUGQFO-UHFFFAOYSA-M

ChEBI Compound Name:

stipitaton-4-olate

ChEBI SMILES Value:

Oc1cc2C(=O)OC(=O)c2c([O-])cc1=O

ChEBI Substance ID:

99437418

ChEBI URL:

ChEBI:57775

ChemSpider ID:

26330910

Ontomatica Chemical Accession Key (OnChAKey):

IECSWTFJOUGQFO_UHFFFAOYSA_M_000_000000

PubChem Compound ID:

54746226