CHEBI:132828 - isobornyl formate

ChEBI IDCHEBI:132828
ChEBI Nameisobornyl formate
Stars
DefinitionA bornane monoterpenoid that is isoborneol in which the hydroxy hydrogen has been replaced by a formyl group.
Last Modified25 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC11H18O2
Net Charge0
Average Mass182.263
Monoisotopic Mass182.13068
SMILES[H]C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKeyRDWUNORUTVEHJF-KKZNHRDASA-N
Species of MetaboliteComponentSourceComments
Cyrtopodium macrobulbon (ncbitaxon:1547852) - PubMed (24818583)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
isobornyl formate (CHEBI:132828) has functional parent borneol (CHEBI:28093)
isobornyl formate (CHEBI:132828) has role plant metabolite (CHEBI:76924)
isobornyl formate (CHEBI:132828) is a bornane monoterpenoid (CHEBI:22912)
isobornyl formate (CHEBI:132828) is a bridged compound (CHEBI:35990)
isobornyl formate (CHEBI:132828) is a formate ester (CHEBI:52343)
IUPAC Name 
rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
Synonyms  Source
Bornyl formateSUBMITTER
Isoborneol formateChemIDplus
Manual XrefsDatabases
WO2011117740Patent
Registry NumbersSources
Reaxys:11326848Reaxys
CAS:1200-67-5ChemIDplus
CAS:1200-67-5NIST Chemistry WebBook
Citations