Achimilic acid (CHEBI:174657)

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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	Achimilic acid

ChEBI ID	CHEBI:174657

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O5

Net Charge

Average Mass

278.304

Monoisotopic Mass

278.11542

InChI

InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+

InChIKey

ARZDSTJTDVJYCF-XYOKQWHBSA-N

SMILES

OC1(/C(=C/C(CCC(=O)C)C(C(O)=O)=C)/C(=O)C=C1)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Achimilic acid (CHEBI:174657) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name

3-[(Z)-(2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]-2-methylidene-6-oxoheptanoic acid