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CHEBI:61737 - (+)-thujopsene

ChEBI IDCHEBI:61737
ChEBI Name(+)-thujopsene
Stars
DefinitionA thujopsene that has (R,R,R)-configuration.
Last Modified23 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=CC[C@@]2(C)CCCC(C)(C)[C@]23C[C@H]13
InChIInChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m1/s1
InChIKeyWXQGPFZDVCRBME-BPLDGKMQSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-thujopsene (CHEBI:61737) is a thujopsene (CHEBI:61736)
(+)-thujopsene (CHEBI:61737) is enantiomer of (−)-thujopsene (CHEBI:9578)
Incoming Relation(s)
(−)-thujopsene (CHEBI:9578) is enantiomer of (+)-thujopsene (CHEBI:61737)
IUPAC Name 
(1aR,4aR,8aR)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
UniProt Name  Source
(+)-thujopseneUniProt
Manual XrefsDatabases
CPD-8236MetaCyc
Citations