Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020953
PROPERTIES
| NPAID | NPA020953 |
|---|---|
| CLUSTER ID | 6575 |
| NODE ID | 4555 |
| NAME | Vanoxonin |
| FORMULA | C18H25N3O9 |
| MOLECULAR WEIGHT (Da) | 427.4100 |
| ACCURATE MASS (Da) | 427.1591 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Saccharopolyspora |
| ORIGIN SPECIES | hirsuta MG245-CF2 |
| InChIKey | KCWDMHXDGAWLOA-LQJRIPTKSA-N |
| InChI | InChI=1S/C18H25N3O9/c1-9(22)14(20-16(26)11-5-3-7-13(24)15(11)25)17(27)19-12(18(28)29)6-4-8-21(30)10(2)23/h3,5,7,9,12,14,22,24-25,30H,4,6,8H2,1-2H3,(H,19,27)(H,20,26)(H,28,29)/t9-,12+,14+/m1/s1 |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)O)NC(=O)C1=C(C(=CC=C1)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kanai F; Sawa T; Hamada M; Naganawa H; Takeuchi T; Umezawa H VANOXONIN, A NEW INHIBITOR OF THYMIDYLATE SYNTHETASE Journal of Antibiotics 1983 36 (6) 656-660. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.36.656 | PMID | 6874588 |
SYNTHESES
| CITATION 1 | Kanai F; Isshiki K; Umezawa Y; Morishima H; Naganawa H; Takita T; Takeuchi T; Umezawa H Vanoxonin, a new inhibitor of thymidylate synthetase. II. Structure determination and total synthesis. Journal of Antibiotics 1985 38 (1) 31-8. DOI: 10.7164/antibiotics.38.31 PMID: 3972726 | ||
|---|---|---|---|
