Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA015739
PROPERTIES
NPAID | NPA015739 |
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CLUSTER ID | 5462 |
NODE ID | 3885 |
NAME | Tabtoxin |
FORMULA | C11H19N3O6 |
MOLECULAR WEIGHT (Da) | 289.2880 |
ACCURATE MASS (Da) | 289.1274 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Pseudomonas |
ORIGIN SPECIES | tabaci |
InChIKey | BFSBNVPBVGFFCF-UHFFFAOYSA-N |
InChI | InChI=1S/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18) |
SMILES | CC(C(C(=O)O)NC(=O)C(CCC1(CNC1=O)O)N)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Stewart, Walter W Isolation and proof of structure of wildfire toxin Nature 1971 229 (5281) 174. | ||
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DOI | 10.1038/229174a0 | PMID | 4923261 |