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CHEBI:174657 - Achimilic acid

Default Structure
ChEBI IDCHEBI:174657
ChEBI NameAchimilic acid
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SubmitterMetaboLights
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FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESC=C(C(=O)O)C(/C=C1\C(=O)C=CC1(C)O)CCC(C)=O
InChIInChI=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+
InChIKeyARZDSTJTDVJYCF-XYOKQWHBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
35014401ChemSpider
HMDB0037325HMDB