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CHEBI:76944 - 13-epi-manool

ChEBI IDCHEBI:76944
ChEBI Name13-epi-manool
Stars
ASCII Name13-epi-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 Modified22 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+/m0/s1
InChIKeyCECREIRZLPLYDM-RAUXBKROSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
13-epi-manool (CHEBI:76944) has role antifungal agent (CHEBI:35718)
13-epi-manool (CHEBI:76944) has role metabolite (CHEBI:25212)
13-epi-manool (CHEBI:76944) is a labdane diterpenoid (CHEBI:36770)
13-epi-manool (CHEBI:76944) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol
Synonyms  Source
(13S)-manoolChEBI
labda-8(17),14-dien-13(S)-olChEBI
(13S)-labda-8(17),14-dien-13-olChEBI
(5S,9S,10S,13S)-labda-8(17),14-dien-13-olChEBI
UniProt Name  Source
13-epi-manoolUniProt
Manual XrefsDatabases
CPD-14029MetaCyc
Registry NumbersSources
Reaxys:2054966Reaxys
Citations