CHEBI:70568 - (−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene

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ChEBI Name (−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene
ChEBI ID CHEBI:70568
ChEBI ASCII Name (-)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene
Definition A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H26O4
Net Charge 0
Average Mass 318.40730
Monoisotopic Mass 318.18311
InChI InChI=1S/C19H26O4/c1-11(2)12-7-13-14(8-15(12)21)19(23)6-4-5-18(3,10-20)17(19)9-16(13)22/h7-8,11,17,20-21,23H,4-6,9-10H2,1-3H3/t17-,18+,19-/m0/s1
InChIKey RDRFKMSTCAZPEC-OTWHNJEPSA-N
SMILES CC(C)c1cc2C(=O)C[C@H]3[C@@](C)(CO)CCC[C@]3(O)c2cc1O
Metabolite of Species Details
Fraxinus sieboldiana (NCBI:txid490850) Found in stem (BTO:0001300). Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70568) has role plant metabolite (CHEBI:76924)
(−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70568) is a cyclic terpene ketone (CHEBI:36130)
(−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70568) is a phenols (CHEBI:33853)
(−)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene (CHEBI:70568) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name
(1S,4aR,10aS)-4a,6-dihydroxy-1-(hydroxymethyl)-1-methyl-7-(propan-2-yl)-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
Registry Number Type Source
21097467 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015