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CHEBI:193909 - Physangulide
| Formula | C28H42O9 |
| Net Charge | 0 |
| Average Mass | 522.635 |
| Monoisotopic Mass | 522.28288 |
| SMILES | CC(O)(C1CC(C)(O)C(C)(O)C(=O)O1)C1CCC2C3CC4OC45C(O)C(O)CC(=O)C5(C)C3CCC21C |
| InChI | InChI=1S/C28H42O9/c1-23-9-8-15-13(10-19-28(37-19)21(31)16(29)11-18(30)25(15,28)3)14(23)6-7-17(23)26(4,34)20-12-24(2,33)27(5,35)22(32)36-20/h13-17,19-21,29,31,33-35H,6-12H2,1-5H3 |
| InChIKey | OREAQOXKZSQPCV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| 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) |
| Physangulide (CHEBI:193909) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| 15-[1-(4,5-dihydroxy-4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,6-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037381 | HMDB |