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

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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
ChEBI ID CHEBI:70554
ChEBI 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
Definition An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H24O4
Net Charge 0
Average Mass 328.40220
Monoisotopic Mass 328.16746
InChI InChI=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
InChIKey CMURQFGSNXTIKZ-IEYYFSCXSA-N
SMILES CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O
Metabolite of Species Details
Fraxinus sieboldiana (NCBI:txid490850) Found in stem (BTO:0001300). Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-(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 Number Type Source
21097459 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20961093 PubMed citation Europe PMC
Last Modified
14 April 2015