Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00007784668 | Gold | 3 |
COMPOUND NPA008909
PROPERTIES
| NPAID | NPA008909 |
|---|---|
| CLUSTER ID | 1144 |
| NODE ID | 977 |
| NAME | Ulbactin G |
| FORMULA | C17H19N3O2S3 |
| MOLECULAR WEIGHT (Da) | 393.5590 |
| ACCURATE MASS (Da) | 393.0639 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Brevibacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | KDVBIWXQJGCQHY-XTUVOZTNSA-N |
| InChI | InChI=1S/C17H19N3O2S3/c1-19-11-7-25-17(19)12-8-24-16(20(12)15(11)22)10-6-23-14(18-10)9-4-2-3-5-13(9)21/h2-5,10-12,16-17,21H,6-8H2,1H3/t10-,11+,12-,16+,17-/m1/s1 |
| SMILES | CN1[C@H]2CS[C@@H]1[C@H]3CS[C@H](N3C2=O)[C@H]4CSC(=N4)C5=CC=CC=C5O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp Organic Letters 2016 18 (7) 1658-1661. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b00531 | PMID | 26998643 |
