EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132349 - triptobenzene A

ChEBI IDCHEBI:132349
ChEBI Nametriptobenzene A
Stars
DefinitionAn abietane diterpenoid with formula C20H28O3, originally isolated from Tripterygium wilfordii.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CCc3c(ccc(C(C)C)c3O)[C@@]1(C)CCC(=O)[C@]2(C)CO
InChIInChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(18(13)23)6-8-16-19(15,3)10-9-17(22)20(16,4)11-21/h5,7,12,16,21,23H,6,8-11H2,1-4H3/t16-,19-,20-/m1/s1
InChIKeyTZJRHFCKOBGRSH-NSISKUIASA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (21514608)
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)
triptobenzene A (CHEBI:132349) has role plant metabolite (CHEBI:76924)
triptobenzene A (CHEBI:132349) is a abietane diterpenoid (CHEBI:36762)
triptobenzene A (CHEBI:132349) is a cyclic terpene ketone (CHEBI:36130)
triptobenzene A (CHEBI:132349) is a phenols (CHEBI:33853)
triptobenzene A (CHEBI:132349) is a primary alcohol (CHEBI:15734)
triptobenzene A (CHEBI:132349) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
14,19-dihydroxyabieta-8,11,13-trien-3-one
Manual XrefsDatabases
15762008PubChem Compound
C00049755KNApSAcK
Registry NumbersSources
Reaxys:7383212Reaxys
CAS:170557-25-2KNApSAcK
Citations