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CHEBI:76948 - ent-manool

ChEBI IDCHEBI:76948
ChEBI Nameent-manool
Stars
ASCII Nameent-manool
DefinitionA labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an S-hydroxy group at position 13.
Last Modified27 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]1(CC[C@](C)(O)C=C)C(=C)CC[C@]2([H])C(C)(C)CCC[C@@]12C
InChIInChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m1/s1
InChIKeyCECREIRZLPLYDM-LFGUQSLTSA-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)
ent-manool (CHEBI:76948) has role metabolite (CHEBI:25212)
ent-manool (CHEBI:76948) is a labdane diterpenoid (CHEBI:36770)
ent-manool (CHEBI:76948) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol
Synonyms  Source
(13S)-ent-manoolChEBI
ent-labda-8(17),14-dien-13R-olChEBI
UniProt Name  Source
ent-manoolUniProt
Manual XrefsDatabases
CPD-14032MetaCyc
Registry NumbersSources
Reaxys:6177562Reaxys
Citations