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CHEBI:199819 - pacificanone B
| Formula | C20H34O3 |
| Net Charge | 0 |
| Average Mass | 322.489 |
| Monoisotopic Mass | 322.25079 |
| SMILES | CC[C@H]1C[C@@H](C)[C@](O)(/C=C/C(C)=C/[C@H](C)[C@H](O)CC)[C@@H](C)C1=O |
| InChI | InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3/b10-9+,13-11+/t14-,15+,16-,17-,18+,20+/m0/s1 |
| InChIKey | JSPPQWVTDRBUIB-BUQRBMCASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Salinispora pacifica (ncbitaxon:351187) | cell suspension culture (BTO:0000221) | PubMed (18321059) | Strain: CNS-237 |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pacificanone B (CHEBI:199819) has role bacterial metabolite (CHEBI:76969) |
| pacificanone B (CHEBI:199819) has role marine metabolite (CHEBI:76507) |
| pacificanone B (CHEBI:199819) is a cyclohexanones (CHEBI:23482) |
| pacificanone B (CHEBI:199819) is a diol (CHEBI:23824) |
| pacificanone B (CHEBI:199819) is a olefinic compound (CHEBI:78840) |
| pacificanone B (CHEBI:199819) is a polyketide (CHEBI:26188) |
| IUPAC Name |
|---|
| (2R,3S,4R,6S)-6-ethyl-3-hydroxy-3-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl]-2,4-dimethylcyclohexanone |
| Synonym | Source |
|---|---|
| (−)-pacificanone B | KNApSAcK |
| Citations |
|---|