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CHEBI:203164 - Leupyrrin C
| Formula | C40H56N2O10 |
| Net Charge | 0 |
| Average Mass | 724.892 |
| Monoisotopic Mass | 724.39350 |
| SMILES | C/C(CCCO)=C1/COC(CC(C)C)/C1=C\C1N=C2OC1COC(=O)[C@@H](CC(C)C)CC(=O)OC1C(OC(=O)C1(C)CO)/C(C)=C/Cc1ccc2n1 |
| InChI | InChI=1S/C40H56N2O10/c1-22(2)15-26-17-34(45)51-36-35(52-39(47)40(36,7)21-44)25(6)10-11-27-12-13-30(41-27)37-42-31(33(50-37)20-49-38(26)46)18-28-29(24(5)9-8-14-43)19-48-32(28)16-23(3)4/h10,12-13,18,22-23,26,31-33,35-36,41,43-44H,8-9,11,14-17,19-21H2,1-7H3/b25-10+,28-18-,29-24+/t26-,31?,32?,33?,35?,36?,40?/m0/s1 |
| InChIKey | XLXHKRNRAZZHCX-OXBRVNNASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sorangium (ncbitaxon:39643) | - | PubMed (14510597) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leupyrrin C (CHEBI:203164) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (7E,17S)-12-(hydroxymethyl)-22-[(Z)-[(4Z)-4-(5-hydroxypentan-2-ylidene)-2-(2-methylpropyl)oxolan-3-ylidene]methyl]-8,12-dimethyl-17-(2-methylpropyl)-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione |
| Manual Xrefs | Databases |
|---|---|
| 9094906 | ChemSpider |