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CHEBI:70575 - 8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone

ChEBI IDCHEBI:70575
ChEBI Name8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone
Stars
DefinitionAn abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILES[H][C@@]12CC[C@@]34C=C(C(C)C)C(=O)C=C3[C@]1(CCCC2(C)C)C(=O)O4
InChIInChI=1S/C20H26O3/c1-12(2)13-11-19-9-6-15-18(3,4)7-5-8-20(15,17(22)23-19)16(19)10-14(13)21/h10-12,15H,5-9H2,1-4H3/t15-,19+,20+/m0/s1
InChIKeyUFXFRAKIDXOMGU-CWFSZBLJSA-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)
8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone (CHEBI:70575) has role plant metabolite (CHEBI:76924)
8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone (CHEBI:70575) is a abietane diterpenoid (CHEBI:36762)
8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone (CHEBI:70575) is a cyclic terpene ketone (CHEBI:36130)
8-hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone (CHEBI:70575) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
8,20-epoxyabieta-9(11),13-diene-12,20-dione
Registry NumbersSources
Reaxys:4882697Reaxys
Citations