Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724278 | Gold | 3 |
| CCMSLIB00005724285 | Gold | 3 |
| CCMSLIB00012109685 | Gold | 4 |
| CCMSLIB00012109684 | Gold | 4 |
| CCMSLIB00009949482 | Gold | 4 |
| CCMSLIB00009949481 | Gold | 4 |
COMPOUND NPA018949
PROPERTIES
| NPAID | NPA018949 |
|---|---|
| CLUSTER ID | 994 |
| NODE ID | 856 |
| NAME | 12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl) |
| FORMULA | C21H20N4O5 |
| MOLECULAR WEIGHT (Da) | 408.4140 |
| ACCURATE MASS (Da) | 408.1434 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | scabies |
| InChIKey | CRDXCBHAFGPWRN-LAUBAEHRSA-N |
| InChI | InChI=1S/C21H20N4O5/c1-24-17(10-14-12-22-15-8-5-9-16(18(14)15)25(29)30)19(26)23-21(28,20(24)27)11-13-6-3-2-4-7-13/h2-9,12,17,22,28H,10-11H2,1H3,(H,23,26)/t17-,21+/m0/s1 |
| SMILES | CN1[C@H](C(=O)N[C@](C1=O)(CC2=CC=CC=C2)O)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] |
ORIGINAL ISOLATION REFERENCE
| CITATION | King, Russell R; Lawrence, C Harold; Calhoun, Larry A; Ristaino, Jean B Isolation and characterization of thaxtomin-type phytotoxins associated with Streptomyces ipomoeae Journal of Agricultural and Food Chemistry 1994 42 (8) 1791-1794. | ||
|---|---|---|---|
| DOI | 10.1021/jf00044a042 | PMID | - |
