Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012061
PROPERTIES
| NPAID | NPA012061 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | TR-2 |
| FORMULA | C22H27N3O6 |
| MOLECULAR WEIGHT (Da) | 429.4730 |
| ACCURATE MASS (Da) | 429.1900 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | PIWNJAZCHHBADQ-MECALSEWSA-N |
| InChI | InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1 |
| SMILES | CC(C)(C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cole, Richard J; Kirksey, Jerry W; Cox, Richard H; Clardy, Jon Structure of the tremor-producing indole, TR-2 Journal of Agricultural and Food Chemistry 1975 23 (5) 1015-1018. | ||
|---|---|---|---|
| DOI | 10.1021/jf60201a017 | PMID | 1159175 |
