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CHEBI:70552 - (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone
| Formula | C20H26O4 |
| Net Charge | 0 |
| Average Mass | 330.424 |
| Monoisotopic Mass | 330.18311 |
| SMILES | [H][C@@]12CC[C@@]3(O)C=C(C(C)C)C(=O)C=C3[C@@]13CCC[C@]2(C)COC3=O |
| InChI | InChI=1S/C20H26O4/c1-12(2)13-10-19(23)8-5-15-18(3)6-4-7-20(15,17(22)24-11-18)16(19)9-14(13)21/h9-10,12,15,23H,4-8,11H2,1-3H3/t15-,18+,19+,20+/m0/s1 |
| InChIKey | JSFRLZQSBVCOOF-YGWPLHOASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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) |
| (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone (CHEBI:70552) has role plant metabolite (CHEBI:76924) |
| (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone (CHEBI:70552) is a abietane diterpenoid (CHEBI:36762) |
| (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone (CHEBI:70552) is a cyclic terpene ketone (CHEBI:36130) |
| (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone (CHEBI:70552) is a diterpene lactone (CHEBI:49193) |
| (−)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone (CHEBI:70552) is a tetracyclic diterpenoid (CHEBI:52557) |
| IUPAC Name |
|---|
| 8-hydroxy-19,20-epoxyabieta-9(11),13-diene-12,20-dione |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21097473 | Reaxys |
| Citations |
|---|