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CHEBI:219674 - Toblerol C

Default Structure
ChEBI IDCHEBI:219674
ChEBI NameToblerol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O2
Net Charge0
Average Mass210.317
Monoisotopic Mass210.16198
SMILESCCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h7-8,11-12H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-,12-/m1/s1
InChIKeyCYZBYYRNFIYDSJ-PKJDGDQJSA-N
Species of MetaboliteComponentSourceComments
Methylorubrum extorquens AM1 (ncbitaxon:272630) - PubMed (29112783)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Toblerol C (CHEBI:219674) is a carboxylic acid (CHEBI:33575)
Toblerol C (CHEBI:219674) is a cyclopropanes (CHEBI:51454)
IUPAC Name 
(1R,2R)-2-[(Z)-non-2-enyl]cyclopropane-1-carboxylic acid
Manual XrefsDatabases
78443351ChemSpider