Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007994
PROPERTIES
| NPAID | NPA007994 |
|---|---|
| CLUSTER ID | 2382 |
| NODE ID | 1881 |
| NAME | (4-Hydroxy-3,5-dinitrophenyl)acetic acid |
| FORMULA | C8H6N2O7 |
| MOLECULAR WEIGHT (Da) | 242.1430 |
| ACCURATE MASS (Da) | 242.0175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salegentibacter |
| ORIGIN SPECIES | sp. T436 |
| InChIKey | MLVYQQLUGFSXQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12) |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Al-Zereini, Wael; Schuhmann, Imelda; Laatsch, Hartmut; Helmke, Elisabeth; Anke, Heidrun New Aromatic Nitro Compounds from Salegentibacter sp. T436, an Arctic Sea Ice Bacterium: Taxonomy, Fermentation, Isolation and Biological Activities Journal of Antibiotics 2007 60 (5) 301-308. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2007.38 | PMID | 17551208 |
