(-)-Isochaminic acid (CHEBI:228923)

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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	(-)-Isochaminic acid

ChEBI ID	CHEBI:228923

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O2

Net Charge

Average Mass

166.220

Monoisotopic Mass

166.09938

InChI

InChI=1S/C10H14O2/c1-10(2)7-4-3-6(9(11)12)5-8(7)10/h5,7-8H,3-4H2,1-2H3,(H,11,12)/t7-,8+/m1/s1

InChIKey

BKLAIYZBALVMQV-SFYZADRCSA-N

SMILES

OC(=O)C1=C[C@@]2(C([C@@]2(CC1)[H])(C)C)[H]

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	(-)-Isochaminic acid (CHEBI:228923) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(1S,6R)-7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carboxylic acid