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CHEBI:132353 - triptoquinone B

ChEBI IDCHEBI:132353
ChEBI Nametriptoquinone B
Stars
DefinitionAn abietane diterpenoid with formula C20H26O4, originally isolated from Tripterygium wilfordii.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@@]12CCC3=C(C(=O)C=C(C(C)C)C3=O)[C@@]1(C)CCC(=O)[C@]2(C)CO
InChIInChI=1S/C20H26O4/c1-11(2)13-9-14(22)17-12(18(13)24)5-6-15-19(17,3)8-7-16(23)20(15,4)10-21/h9,11,15,21H,5-8,10H2,1-4H3/t15-,19+,20-/m1/s1
InChIKeyRYYRZMIBKOKIRO-UIAACRFSSA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (10579865)
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 B (CHEBI:132353) has role plant metabolite (CHEBI:76924)
triptoquinone B (CHEBI:132353) is a p-quinones (CHEBI:25830)
triptoquinone B (CHEBI:132353) is a abietane diterpenoid (CHEBI:36762)
triptoquinone B (CHEBI:132353) is a carbotricyclic compound (CHEBI:38032)
triptoquinone B (CHEBI:132353) is a cyclic terpene ketone (CHEBI:36130)
triptoquinone B (CHEBI:132353) is a primary alcohol (CHEBI:15734)
triptoquinone B (CHEBI:132353) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
19-hydroxyabieta-8,12-diene-3,11,14-trione
Manual XrefsDatabases
C00035883KNApSAcK
Registry NumbersSources
Reaxys:5448379Reaxys
CAS:142937-50-6KNApSAcK
Citations