Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012161992 | Gold | 4 |
| CCMSLIB00012161993 | Gold | 4 |
| CCMSLIB00010001789 | Gold | 4 |
| CCMSLIB00010001790 | Gold | 4 |
| CCMSLIB00005724277 | Gold | 3 |
COMPOUND NPA011698
PROPERTIES
| NPAID | NPA011698 |
|---|---|
| CLUSTER ID | 994 |
| NODE ID | 856 |
| NAME | Thaxtomin B |
| FORMULA | C22H22N4O5 |
| MOLECULAR WEIGHT (Da) | 422.4410 |
| ACCURATE MASS (Da) | 422.1590 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | scabies |
| InChIKey | PCCPGPMTZJOQFC-PGRDOPGGSA-N |
| InChI | InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1 |
| SMILES | CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC=CC=C2)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] |
ORIGINAL ISOLATION REFERENCE
| CITATION | King, Russell R; Lawrence, C Harold; Calhoun, Larry A Chemistry of phytotoxins associated with Streptomyces scabies the causal organism of potato common scab Journal of Agricultural and Food Chemistry 1992 40 (5) 834-837. | ||
|---|---|---|---|
| DOI | 10.1021/jf00017a025 | PMID | - |
