Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014080
PROPERTIES
| NPAID | NPA014080 |
|---|---|
| CLUSTER ID | 3957 |
| NODE ID | 2951 |
| NAME | Verticilide A3 |
| FORMULA | C46H80N4O12 |
| MOLECULAR WEIGHT (Da) | 881.1620 |
| ACCURATE MASS (Da) | 880.5773 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Verticillium |
| ORIGIN SPECIES | sp. FKI-2679 |
| InChIKey | KZFLZAJZRKYSKL-YDMISYQBSA-N |
| InChI | InChI=1S/C46H80N4O12/c1-13-17-21-22-26-30-38-42(54)50(12)33(7)45(57)61-36(28-24-19-15-3)40(52)48(10)31(5)43(55)59-35(27-23-18-14-2)39(51)47(9)32(6)44(56)60-37(29-25-20-16-4)41(53)49(11)34(8)46(58)62-38/h31-38H,13-30H2,1-12H3/t31-,32+,33+,34-,35?,36?,37?,38?/m1/s1 |
| SMILES | CCCCCCCC1OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@@H](C)N(C)C(=O)C(CCCCC)OC(=O)[C@H](C)N(C)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ohshiro, Taichi; Matsuda, Daisuke; Kazuhiro, Takeuchi; Uchida, Ryuji; Nonaka, Kenichi; Masuma, Rokuro; Tomoda, Hiroshi New verticilides, inhibitors of acyl-CoA:cholesterol acyltransferase, produced by Verticillium sp. FKI-2679. Journal of Antibiotics 2012 65 (5) 255-262. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2012.12 | PMID | 22415459 |
