Clavicoronic acid (CHEBI:205213)

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CHEBI:205213 - Clavicoronic acid

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ChEBI ID	CHEBI:205213
ChEBI Name	Clavicoronic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O4
Net Charge	0
Average Mass	262.305
Monoisotopic Mass	262.12051
SMILES	CC1=C(C(=O)C(=O)O)C(C=O)=C[C@@H]2CC(C)(C)C[C@H]12
InChI	InChI=1S/C15H18O4/c1-8-11-6-15(2,3)5-9(11)4-10(7-16)12(8)13(17)14(18)19/h4,7,9,11H,5-6H2,1-3H3,(H,18,19)/t9-,11-/m1/s1
InChIKey	FUUQWZJSFLVSPA-MWLCHTKSSA-N

Species of Metabolite	Component	Source	Comments
Clavicorona (ncbitaxon:48020)	-	PubMed (1372310)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Clavicoronic acid (CHEBI:205213) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
2-[(3aS,7aS)-6-ormyl-2,2,4-trimethyl-1,3,3a,7a-tetrahydroinden-5-yl]-2-oxoacetic acid

Manual Xrefs	Databases
20087669	ChemSpider