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CHEBI:222275 - Armochaetoglobin E
| Formula | C33H40N2O6 |
| Net Charge | 0 |
| Average Mass | 560.691 |
| Monoisotopic Mass | 560.28864 |
| SMILES | COC(=O)CCC(=O)[C@@]12C(=O)N[C@@H](Cc3cnc4ccccc34)[C@@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2/C=C/CC(C)/C=C(\C)C=O |
| InChI | InChI=1S/C33H40N2O6/c1-19(15-20(2)18-36)9-8-11-24-30-32(4,41-30)21(3)29-26(16-22-17-34-25-12-7-6-10-23(22)25)35-31(39)33(24,29)27(37)13-14-28(38)40-5/h6-8,10-12,15,17-19,21,24,26,29-30,34H,9,13-14,16H2,1-5H3,(H,35,39)/b11-8+,20-15+/t19?,21-,24-,26-,29-,30-,32+,33+/m0/s1 |
| InChIKey | PUUJOTFFKOBIPX-UXPGUYARSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium (ncbitaxon:5149) | - | PubMed (26068802) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Armochaetoglobin E (CHEBI:222275) is a isoindoles (CHEBI:24897) |
| IUPAC Name |
|---|
| methyl 4-[(1aS,2R,2aR,5S,5aR,6S,6aR)-2-[(1E,5E)-4,6-dimethyl-7-oxohepta-1,5-dienyl]-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-2a-yl]-4-oxobutanoate |
| Manual Xrefs | Databases |
|---|---|
| 58859538 | ChemSpider |