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CHEBI:183624 - Physagulin B
| Formula | C30H39ClO7 |
| Net Charge | 0 |
| Average Mass | 547.088 |
| Monoisotopic Mass | 546.23843 |
| SMILES | CC(=O)OC1C=C(C(C)C2CC(C)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(Cl)CC=CC(=O)C34C)C12O |
| InChI | InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3 |
| InChIKey | YTYRPIHQJLEEEG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | |||
| fruit body (BTO:0000487) | MetaboLights (MTBLS3577) | ||
| primordium (BTO:0001886) | MetaboLights (MTBLS3577) |
| 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) |
| Physagulin B (CHEBI:183624) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| [5-chloro-17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 74886489 | ChemSpider |
| HMDB0041048 | HMDB |