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CHEBI:132483 - triptonoterpene methyl ether

ChEBI IDCHEBI:132483
ChEBI Nametriptonoterpene methyl ether
Stars
DefinitionAn abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3, 11 and 14 respectively by oxo, hydroxy and methoxy groups. It is found in Tripterygium wilfordii and Tripterygium hypoglaucum.
Last Modified11 July 2016
Submitterliuqingping
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CCc3c(OC)c(C(C)C)cc(O)c3[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1
InChIKeySPNKZMRXBVCONG-KKSFZXQISA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - PubMed (22256754)
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (18554602)
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)
triptonoterpene methyl ether (CHEBI:132483) has role plant metabolite (CHEBI:76924)
triptonoterpene methyl ether (CHEBI:132483) is a abietane diterpenoid (CHEBI:36762)
triptonoterpene methyl ether (CHEBI:132483) is a aromatic ether (CHEBI:35618)
triptonoterpene methyl ether (CHEBI:132483) is a carbotricyclic compound (CHEBI:38032)
triptonoterpene methyl ether (CHEBI:132483) is a cyclic ketone (CHEBI:3992)
triptonoterpene methyl ether (CHEBI:132483) is a phenols (CHEBI:33853)
IUPAC Name 
11-hydroxy-14-methoxyabieta-8(14),9(11),12-trien-3-one
Synonym  Source
11-hydroxy-14-methoxyabieta-8,11,13-trien-3-oneChEBI
Registry NumbersSources
Reaxys:7386633Reaxys
Citations