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CHEBI:36776 - (1S)-bornane-2,5-dione

ChEBI IDCHEBI:36776
ChEBI Name(1S)-bornane-2,5-dione
Stars
ASCII Name(1S)-bornane-2,5-dione
Last Modified7 May 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H14O2
Net Charge0
Average Mass166.220
Monoisotopic Mass166.09938
SMILESCC1(C)[C@@H]2CC(=O)[C@@]1(C)CC2=O
InChIInChI=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
InChIKeyUDIUFGIXIGLRSM-LHLIQPBNSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-bornane-2,5-dione (CHEBI:36776) is a bornane-2,5-dione (CHEBI:36775)
(1S)-bornane-2,5-dione (CHEBI:36776) is enantiomer of (1R)-bornane-2,5-dione (CHEBI:15392)
Incoming Relation(s)
(1R)-bornane-2,5-dione (CHEBI:15392) is enantiomer of (1S)-bornane-2,5-dione (CHEBI:36776)
IUPAC Name 
(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
UniProt Name  Source
(1S,4S)-bornane-2,5-dioneUniProt
Registry NumbersSources
Beilstein:2613412Beilstein