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CHEBI:70557 - (−)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone

ChEBI IDCHEBI:70557
ChEBI Name(−)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
Stars
ASCII Name(-)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone
DefinitionAn abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@]12C(C)(C)CCC[C@@]13C(=O)O[C@]2([H])[C@@H](O)c1cc(C(C)C)c(O)cc13
InChIInChI=1S/C20H26O4/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/h8-10,15-17,21-22H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1
InChIKeyWTPQRFSKUFBXKY-CLWJZODNSA-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,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70557) has role plant metabolite (CHEBI:76924)
(−)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70557) is a abietane diterpenoid (CHEBI:36762)
(−)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70557) is a diterpene lactone (CHEBI:49193)
(−)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone (CHEBI:70557) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(6β,7α)-7,12-dihydroxy-6,20-epoxyabieta-8,11,13-trien-20-one
Registry NumbersSources
Reaxys:21097469Reaxys
Citations