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CHEBI:50387 - tuberculosinol

ChEBI IDCHEBI:50387
ChEBI Nametuberculosinol
Stars
Last Modified15 July 2015
SubmitterMarcus Ennis
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)=C/CO
InChIInChI=1S/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1
InChIKeyVHFDWNJLUATPID-AHKHSGQUSA-N
ChEBI Ontology
Outgoing Relation(s)
tuberculosinol (CHEBI:50387) is a diterpenoid (CHEBI:23849)
Incoming Relation(s)
1-tuberculosinyladenosine(1+) (CHEBI:85603) has functional parent tuberculosinol (CHEBI:50387)
tuberculosinyl diphosphate (CHEBI:50388) has functional parent tuberculosinol (CHEBI:50387)
IUPAC Name 
(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-ol
Synonym  Source
halima-5,6-dien-15-olChEBI
UniProt Name  Source
tuberculosinolUniProt