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CHEBI:209150 - Cis-cascarillic acid

ChEBI IDCHEBI:209150
ChEBI NameCis-cascarillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCCCCCC[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyDSMAUFFXECFFMC-UWVGGRQHSA-N
Species of MetaboliteComponentSourceComments
Labrenziaspecies 011 (ncbitaxon:2171494) - PubMed (30297608)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cis-cascarillic acid (CHEBI:209150) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
2-[(1S,2S)-2-hexylcyclopropyl]acetic acid
Manual XrefsDatabases
57537680ChemSpider