Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008365
PROPERTIES
| NPAID | NPA008365 |
|---|---|
| CLUSTER ID | 3586 |
| NODE ID | 11 |
| NAME | 2,2-bis(3,3'-indolyl)-isocaproic acid |
| FORMULA | C22H22N2O2 |
| MOLECULAR WEIGHT (Da) | 346.4300 |
| ACCURATE MASS (Da) | 346.1681 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Escherichia |
| ORIGIN SPECIES | coli |
| InChIKey | WVXVAVCGGZLUNU-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H22N2O2/c1-14(2)11-22(21(25)26,17-12-23-19-9-5-3-7-15(17)19)18-13-24-20-10-6-4-8-16(18)20/h3-10,12-14,23-24H,11H2,1-2H3,(H,25,26) |
| SMILES | CC(C)CC(C1=CNC2=CC=CC=C21)(C3=CNC4=CC=CC=C43)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Garbe, T R; Kobayashi, M; Shimizu, N; Takesue, N; Ozawa, M; Yukawa, H Indolyl carboxylic acids by condensation of indoles with α-keto acids Journal of Natural Products 2000 63 (5) 596-598. | ||
|---|---|---|---|
| DOI | 10.1021/np990517s | PMID | 10843566 |
