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CHEBI:132482 - triptobenzene K

ChEBI IDCHEBI:132482
ChEBI Nametriptobenzene K
Stars
DefinitionA tetracyclic diterpenoid with formula C20H22O5, originally isolated from the dried root outer bark of Tripterygium hypoglaucum.
Last Modified20 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILESCC(C)c1cc(O)c2c(c1O)C(=O)CC1C3=C(CC[C@]21C)C(=O)OC3
InChIInChI=1S/C20H22O5/c1-9(2)11-6-15(22)17-16(18(11)23)14(21)7-13-12-8-25-19(24)10(12)4-5-20(13,17)3/h6,9,13,22-23H,4-5,7-8H2,1-3H3/t13?,20-/m0/s1
InChIKeyWEYINIKPYXLZCS-JDOQCHFPSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) root (BTO:0001188) Article (Phytochemistry, 1997, 46(3), 535-543.) From dried root outer bark
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 K (CHEBI:132482) has role plant metabolite (CHEBI:76924)
triptobenzene K (CHEBI:132482) is a benzenediols (CHEBI:33570)
triptobenzene K (CHEBI:132482) is a cyclic ketone (CHEBI:3992)
triptobenzene K (CHEBI:132482) is a tetracyclic diterpenoid (CHEBI:52557)
triptobenzene K (CHEBI:132482) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3bR,9bS)-6,9-dihydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
Synonym  Source
3β,14,19-trihydroxy-abieta-8,11,13-trieneChEBI
Manual XrefsDatabases
101936047PubChem Compound