Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009630
PROPERTIES
| NPAID | NPA009630 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Ditryptophenaline |
| FORMULA | C42H40N6O4 |
| MOLECULAR WEIGHT (Da) | 692.8200 |
| ACCURATE MASS (Da) | 692.3111 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | IQIGYVQQRKFGLN-HSYVCWSSSA-N |
| 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 |
| SMILES | CN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Springer, James P; Bűchi, George; Kobbe, Brunhilde; Demain, Arnold L; Clardy, Jon The structure of ditryptophenaline-a new metabolite of Aspergillus flavus Tetrahedron Letters 1977 18 (28) 2403-2406. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)83777-1 | PMID | - |
