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CHEBI:224700 - Leupyrrin A1
| Formula | C41H58N2O10 |
| Net Charge | 0 |
| Average Mass | 738.919 |
| Monoisotopic Mass | 738.40915 |
| SMILES | COCCC/C(C)=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/C41H58N2O10/c1-23(2)16-27-18-35(45)52-37-36(53-40(47)41(37,7)22-44)26(6)11-12-28-13-14-31(42-28)38-43-32(34(51-38)21-50-39(27)46)19-29-30(25(5)10-9-15-48-8)20-49-33(29)17-24(3)4/h11,13-14,19,23-24,27,32-34,36-37,42,44H,9-10,12,15-18,20-22H2,1-8H3/b26-11+,29-19-,30-25+/t27-,32?,33?,34?,36?,37?,41?/m0/s1 |
| InChIKey | KPUUXWUEEITCMH-VTBQRLAPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sorangium (ncbitaxon:39643) | - | PubMed (14510597) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leupyrrin A1 (CHEBI:224700) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (7E,17S)-12-(hydroxymethyl)-22-[(Z)-[(4Z)-4-(5-methoxypentan-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 |
|---|---|
| 9084043 | ChemSpider |