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CHEBI:70554 - (+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone

ChEBI IDCHEBI:70554
ChEBI Name(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
Stars
ASCII Name(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-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@@]12O[C@@]13C=C(C(C)C)C(=O)C=C3[C@@]13CCCC(C)(C)[C@]1([H])[C@]2([H])OC3=O
InChIInChI=1S/C20H24O4/c1-10(2)11-9-20-13(8-12(11)21)19-7-5-6-18(3,4)15(19)14(16(20)24-20)23-17(19)22/h8-10,14-16H,5-7H2,1-4H3/t14-,15-,16-,19-,20+/m0/s1
InChIKeyCMURQFGSNXTIKZ-IEYYFSCXSA-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,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone (CHEBI:70554) has role plant metabolite (CHEBI:76924)
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone (CHEBI:70554) is a abietane diterpenoid (CHEBI:36762)
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone (CHEBI:70554) is a cyclic terpene ketone (CHEBI:36130)
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone (CHEBI:70554) is a diterpene lactone (CHEBI:49193)
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone (CHEBI:70554) is a epoxide (CHEBI:32955)
IUPAC Name 
(4aR,5aS,6S,6aS,10aR)-7,7-dimethyl-3-(propan-2-yl)-6,6a,7,8,9,10-hexahydro-2H,5aH-6,10a-(epoxymethano)phenanthro[8a,9-b]oxirene-2,11-dione
Registry NumbersSources
Reaxys:21097459Reaxys
Citations