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CHEBI:138234 - (13R)-manoyl oxide

ChEBI IDCHEBI:138234
ChEBI Name(13R)-manoyl oxide
Stars
ASCII Name(13R)-manoyl oxide
DefinitionA tricyclic labdane diterpenoid that is an intermediate in the biosynthesis of forskolin by Coleus forskohlii.
Last Modified6 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CC[C@](C)(C=C)O[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18-,19-,20+/m0/s1
InChIKeyIGGWKHQYMAJOHK-CZKCSJLSSA-N
Species of MetaboliteComponentSourceComments
Coleus forskohlii (ncbitaxon:41228) root (BTO:0001188) PubMed (24481136)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(13R)-manoyl oxide (CHEBI:138234) has role plant metabolite (CHEBI:76924)
(13R)-manoyl oxide (CHEBI:138234) is a cyclic ether (CHEBI:37407)
(13R)-manoyl oxide (CHEBI:138234) is a labdane diterpenoid (CHEBI:36770)
(13R)-manoyl oxide (CHEBI:138234) is a organic heterotricyclic compound (CHEBI:26979)
(13R)-manoyl oxide (CHEBI:138234) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3R,4aR,6aS,10aS,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran
UniProt Name  Source
(13R)-manoyl oxideUniProt
Manual XrefsDatabases
CPD-12748MetaCyc
Citations