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CHEBI:63180 - (13S)-edaxadiene

ChEBI IDCHEBI:63180
ChEBI Name(13S)-edaxadiene
Stars
ASCII Name(13S)-edaxadiene
DefinitionAn edaxadiene in which the carbon bearing the hydroxy group has S configuration.
Last Modified15 December 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC[C@](C)(O)C=C
InChIInChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1
InChIKeyTXBORCBWDUAHAC-JQERWDHBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(13S)-edaxadiene (CHEBI:63180) is a edaxadiene (CHEBI:59685)
IUPAC Name 
(3S)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-1-en-3-ol
Synonyms  Source
(13S)-nosyberkolChEBI
(13S)-isotuberculosinolChEBI
UniProt Name  Source
(13S)-edaxadieneUniProt
Registry NumbersSources
Reaxys:20452639Reaxys
Citations