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CHEBI:70558 - (+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone

ChEBI IDCHEBI:70558
ChEBI Name(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone
Stars
ASCII Name(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone
DefinitionAn abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILES[H][C@]12C(C)(C)CCC[C@@]13C(=O)O[C@]2([H])C(=O)c1cc(C(C)C)c(O)cc13
InChIInChI=1S/C20H24O4/c1-10(2)11-8-12-13(9-14(11)21)20-7-5-6-19(3,4)17(20)16(15(12)22)24-18(20)23/h8-10,16-17,21H,5-7H2,1-4H3/t16-,17+,20+/m1/s1
InChIKeyVUAJCLNFGUYDIL-UWVAXJGDSA-N
Species of MetaboliteComponentSourceComments
Fraxinus sieboldiana (ncbitaxon:490850) stem (BTO:0001300) PubMed (20961093) Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem 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)
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) has role plant metabolite (CHEBI:76924)
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a abietane diterpenoid (CHEBI:36762)
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a cyclic terpene ketone (CHEBI:36130)
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a diterpene lactone (CHEBI:49193)
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone (CHEBI:70558) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(6α)-12-hydroxy-6,20-epoxyabieta-8,11,13-triene-7,20-dione
Registry NumbersSources
Reaxys:21097461Reaxys
Citations