Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008691
PROPERTIES
| NPAID | NPA008691 |
|---|---|
| CLUSTER ID | 2373 |
| NODE ID | 1869 |
| NAME | (4-Hydroxy-3,5-dinitrophenyl)acetic acid methyl ester |
| FORMULA | C9H8N2O7 |
| MOLECULAR WEIGHT (Da) | 256.1700 |
| ACCURATE MASS (Da) | 256.0332 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salegentibacter |
| ORIGIN SPECIES | sp. T436 |
| InChIKey | JEPPUCFMMDZCPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H8N2O7/c1-18-8(12)4-5-2-6(10(14)15)9(13)7(3-5)11(16)17/h2-3,13H,4H2,1H3 |
| SMILES | COC(=O)CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=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 |
