Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848487 | Gold | 1!CCMSLIB00000848488 |
| CCMSLIB00005722572 | Gold | 3 |
| CCMSLIB00005722573 | Gold | 3 |
| CCMSLIB00005722574 | Gold | 3 |
| CCMSLIB00005722576 | Gold | 3 |
| CCMSLIB00005722575 | Gold | 3 |
| CCMSLIB00012133527 | Gold | 4 |
| CCMSLIB00012133526 | Gold | 4 |
| CCMSLIB00012133529 | Gold | 4 |
| CCMSLIB00012133530 | Gold | 4 |
| CCMSLIB00012133528 | Gold | 4 |
| CCMSLIB00012133531 | Gold | 4 |
| CCMSLIB00012133532 | Gold | 4 |
| CCMSLIB00012133534 | Gold | 4 |
| CCMSLIB00012133533 | Gold | 4 |
| CCMSLIB00012133535 | Gold | 4 |
| CCMSLIB00009973324 | Gold | 4 |
| CCMSLIB00009973323 | Gold | 4 |
| CCMSLIB00009973326 | Gold | 4 |
| CCMSLIB00009973327 | Gold | 4 |
| CCMSLIB00009973325 | Gold | 4 |
| CCMSLIB00009973328 | Gold | 4 |
| CCMSLIB00009973329 | Gold | 4 |
| CCMSLIB00009973331 | Gold | 4 |
| CCMSLIB00009973330 | Gold | 4 |
| CCMSLIB00009973332 | Gold | 4 |
| CCMSLIB00012133536 | Gold | 4 |
| CCMSLIB00012133537 | Gold | 4 |
| CCMSLIB00009973333 | Gold | 4 |
| CCMSLIB00009973334 | Gold | 4 |
| CCMSLIB00012133538 | Gold | 4 |
| CCMSLIB00012133539 | Gold | 4 |
| CCMSLIB00009973335 | Gold | 4 |
| CCMSLIB00009973336 | Gold | 4 |
COMPOUND NPA013195
PROPERTIES
| NPAID | NPA013195 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Malformin B4 |
| FORMULA | C23H39N5O5S2 |
| MOLECULAR WEIGHT (Da) | 529.7290 |
| ACCURATE MASS (Da) | 529.2393 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | PIXYPRXKMCTYQV-RJBILPHGSA-N |
| InChI | InChI=1S/C23H39N5O5S2/c1-7-12(5)17-22(32)25-14-9-34-35-10-15(24-19(14)29)20(30)26-16(11(3)4)21(31)27-18(13(6)8-2)23(33)28-17/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,32)(H,26,30)(H,27,31)(H,28,33)/t12-,13+,14+,15+,16-,17-,18+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)[C@H](C)CC)C(C)C)NC2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Kun-Woo; Sugawara, Fumio; Yoshida, Shigeo; Murofushi, Noboru; Takahashi, Nobutaka; Curtis, Roy W Structure of malformin B, a phytotoxic metabolite produced by Aspergillus niger Bioscience Biotechnology and Biochemistry 1993 57 (5) 787-791. | ||
|---|---|---|---|
| DOI | 10.1271/bbb.57.787 | PMID | 7763777 |
