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CHEBI:70574 - 7-dehydroabietanone

ChEBI IDCHEBI:70574
ChEBI Name7-dehydroabietanone
Stars
DefinitionAn abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILES[H][C@@]12CC(=O)c3cc(C(C)C)ccc3[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1
InChIKeyISHVJVXYPLFKAL-AZUAARDMSA-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)
7-dehydroabietanone (CHEBI:70574) has role plant metabolite (CHEBI:76924)
7-dehydroabietanone (CHEBI:70574) is a abietane diterpenoid (CHEBI:36762)
7-dehydroabietanone (CHEBI:70574) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
abieta-8,11,13-trien-7-one
Registry NumbersSources
Reaxys:2129489Reaxys
Citations