Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012161988 | Gold | 4 |
| CCMSLIB00012161990 | Gold | 4 |
| CCMSLIB00012161989 | Gold | 4 |
| CCMSLIB00012161991 | Gold | 4 |
| CCMSLIB00012161985 | Gold | 4 |
| CCMSLIB00012161986 | Gold | 4 |
| CCMSLIB00012161987 | Gold | 4 |
| CCMSLIB00010001785 | Gold | 4 |
| CCMSLIB00010001786 | Gold | 4 |
| CCMSLIB00010001787 | Gold | 4 |
| CCMSLIB00010001788 | Gold | 4 |
| CCMSLIB00010001783 | Gold | 4 |
| CCMSLIB00010001782 | Gold | 4 |
| CCMSLIB00010001784 | Gold | 4 |
| CCMSLIB00005723295 | Gold | 3 |
| CCMSLIB00005723300 | Gold | 3 |
| CCMSLIB00005724024 | Gold | 3 |
| CCMSLIB00005724269 | Gold | 3 |
| CCMSLIB00005723291 | Gold | 3 |
| CCMSLIB00005723298 | Gold | 3 |
| CCMSLIB00005724274 | Gold | 3 |
| CCMSLIB00005724275 | Gold | 3 |
| CCMSLIB00005724284 | Gold | 3 |
| CCMSLIB00005723290 | Gold | 3 |
COMPOUND NPA009094
PROPERTIES
| NPAID | NPA009094 |
|---|---|
| CLUSTER ID | 995 |
| NODE ID | 857 |
| NAME | Thaxtomin A |
| FORMULA | C22H22N4O6 |
| MOLECULAR WEIGHT (Da) | 438.4400 |
| ACCURATE MASS (Da) | 438.1539 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | scabies |
| InChIKey | QRDNJYNIEGRRKV-PGRDOPGGSA-N |
| InChI | InChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1 |
| SMILES | CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] |
ORIGINAL ISOLATION REFERENCE
| CITATION | King, Russell R; Lawrence, C Harold; Clark, Merv C; Calhoun, Larry A Isolation and characterization of phytotoxins associated with Streptomyces scabies Journal of the Chemical Society, Chemical Communications 1989 (13) 849-850. | ||
|---|---|---|---|
| DOI | 10.1039/c39890000849 | PMID | - |
