EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:132354 - triptoquinone H

ChEBI IDCHEBI:132354
ChEBI Nametriptoquinone H
Stars
DefinitionAn abietane diterpenoid with formula C20H26O3, originally isolated from Tripterygium hypoglaucum.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILES[H][C@@]12CCC3=C(C(=O)C=C(C(C)C)C3=O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1
InChIKeyJRDCNBZYYIEMRB-YWZLYKJASA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - PubMed (Phytochemistry, 2000, 53, 715-722.)
Tripterygium doianum (ncbitaxon:859951) - PubMed (Phytochemistry, 2004, 65, 2071)
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)
triptoquinone H (CHEBI:132354) has role plant metabolite (CHEBI:76924)
triptoquinone H (CHEBI:132354) is a p-quinones (CHEBI:25830)
triptoquinone H (CHEBI:132354) is a abietane diterpenoid (CHEBI:36762)
triptoquinone H (CHEBI:132354) is a carbotricyclic compound (CHEBI:38032)
triptoquinone H (CHEBI:132354) is a cyclic terpene ketone (CHEBI:36130)
triptoquinone H (CHEBI:132354) is a tricyclic diterpenoid (CHEBI:79084)
Manual XrefsDatabases
C00035884KNApSAcK
Registry NumbersSources
Reaxys:8505686Reaxys
CAS:268541-23-7KNApSAcK