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CHEBI:207235 - Sclerotiamide B
| Formula | C27H31N3O5 |
| Net Charge | 0 |
| Average Mass | 477.561 |
| Monoisotopic Mass | 477.22637 |
| SMILES | CO[C@@H]1[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]3C(C)(C)[C@]12C(=O)Nc1c2ccc2c1C=CC(C)(C)O2 |
| InChI | InChI=1S/C27H31N3O5/c1-23(2)11-9-14-16(35-23)8-7-15-18(14)28-21(32)26(15)19(34-5)27-17(24(26,3)4)13-25(20(31)29-27)10-6-12-30(25)22(27)33/h7-9,11,17,19H,6,10,12-13H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,25-,26-,27+/m0/s1 |
| InChIKey | KYOGJHMTXUTNJJ-WDMQBYORSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium (ncbitaxon:5506) | - | PubMed (31618578) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sclerotiamide B (CHEBI:207235) is a 1-benzopyran (CHEBI:38443) |
| IUPAC Name |
|---|
| (1'R,3R,7'S,9'S,12'S)-12'-methoxy-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione |
| Manual Xrefs | Databases |
|---|---|
| 78315804 | ChemSpider |