Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008127
PROPERTIES
| NPAID | NPA008127 |
|---|---|
| CLUSTER ID | 3520 |
| NODE ID | 2653 |
| NAME | N-{1-[4-(acetylamino)phenyl]-3-hydroxy-1-(1H-indol-3-yl)propan-2-yl}-2,2-dichloroacetamide |
| FORMULA | C21H21Cl2N3O3 |
| MOLECULAR WEIGHT (Da) | 434.3230 |
| ACCURATE MASS (Da) | 433.0960 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Escherichia |
| ORIGIN SPECIES | coli |
| InChIKey | IEORQMXIWXLRSB-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H21Cl2N3O3/c1-12(28)25-14-8-6-13(7-9-14)19(18(11-27)26-21(29)20(22)23)16-10-24-17-5-3-2-4-15(16)17/h2-10,18-20,24,27H,11H2,1H3,(H,25,28)(H,26,29) |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C(CO)NC(=O)C(Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Lin; Tang, Xi-Xiang; Zheng, Min; Yi, Zhi-Wei; Xiao, Xiang; Qiu, Ying-Kun; Wu, Zhen A novel indole alkaloid from deep-sea sediment metagenomic clone-derived Escherichia coli fermentation broth Journal of Asian Natural Products Research 2011 13 (5) 444-448. | ||
|---|---|---|---|
| DOI | 10.1080/10286020.2011.570262 | PMID | 21534044 |
