CHEBI:228923 - (-)-Isochaminic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
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
Manual Xref Database
555055 ChemSpider
View more database links