EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70571 - (+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene

ChEBI IDCHEBI:70571
ChEBI Name(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
Stars
ASCII Name(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
DefinitionA tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC19H24O2
Net Charge0
Average Mass284.399
Monoisotopic Mass284.17763
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)cc3C1=CC(=O)CC2(C)C
InChIInChI=1S/C19H24O2/c1-11(2)14-7-12-5-6-17-16(15(12)9-18(14)21)8-13(20)10-19(17,3)4/h7-9,11,17,21H,5-6,10H2,1-4H3/t17-/m1/s1
InChIKeyCCJNNPFPCPVLJY-QGZVFWFLSA-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)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70571) has role plant metabolite (CHEBI:76924)
(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70571) is a cyclic terpene ketone (CHEBI:36130)
(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70571) is a phenols (CHEBI:33853)
(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene (CHEBI:70571) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(10aS)-6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-1,9,10,10a-tetrahydrophenanthren-3(2H)-one
Registry NumbersSources
Reaxys:21097452Reaxys
Citations