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CHEBI:209692 - Ditryptophenaline
| Formula | C42H40N6O4 |
| Net Charge | 0 |
| Average Mass | 692.820 |
| Monoisotopic Mass | 692.31110 |
| SMILES | CN1C(=O)[C@@H]2CC3([C@@]45C[C@H]6C(=O)N(C)[C@@H](Cc7ccccc7)C(=O)N6[C@@H]4Nc4ccccc45)c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 |
| InChI | InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32-,33-,34-,39-,40-,41+,42?/m0/s1 |
| InChIKey | IQIGYVQQRKFGLN-CCXORTPSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus flavus (ncbitaxon:5059) | - | DOI (10.1016/s0040-4039(01)83777-1) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ditryptophenaline (CHEBI:209692) is a pyrroloindole (CHEBI:48133) |
| IUPAC Name |
|---|
| (1S,4S,7S,9S)-4-benzyl-9-[(1S,4S,7S,9S)-4-benzyl-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |