Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:34:35 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054782
Metabolite Identification
Common Name(1S,4S)-bornane-2,5-dione
Description(1S)-bornane-2,5-dione belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (1S)-bornane-2,5-dione is considered to be an isoprenoid. Based on a literature review very few articles have been published on (1S)-bornane-2,5-dione.
Structure
Synonyms
ValueSource
(1S,4S)-Bornane-2,5-dioneChEBI
Molecular FormulaC10H14O2
Average Mass166.22
Monoisotopic Mass166.099379691
IUPAC Name(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
Traditional Name(1S)-bornane-2,5-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC(=O)[C@@](C)(CC1=O)C2(C)C
InChI Identifier
InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10-/m1/s1
InChI KeyUDIUFGIXIGLRSM-LHLIQPBNSA-N