Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478102 | Gold | 2 |
COMPOUND NPA032795
PROPERTIES
| NPAID | NPA032795 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | W493 B |
| FORMULA | C45H73N7O11 |
| MOLECULAR WEIGHT (Da) | 888.1170 |
| ACCURATE MASS (Da) | 887.5368 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | HTPODFYRHLWACU-GNLQXBSVSA-N |
| InChI | InChI=1S/C45H73N7O11/c1-8-10-11-12-13-14-15-16-17-27(4)35-25-37(56)51-39(30(7)53)44(61)48-28(5)40(57)47-29(6)41(58)49-33(22-23-36(46)55)42(59)50-34(24-31-18-20-32(54)21-19-31)43(60)52-38(26(3)9-2)45(62)63-35/h18-21,26-30,33-35,38-39,53-54H,8-17,22-25H2,1-7H3,(H2,46,55)(H,47,57)(H,48,61)(H,49,58)(H,50,59)(H,51,56)(H,52,60)/t26-,27+,28-,29+,30+,33-,34+,35-,38-,39+/m0/s1 |
| SMILES | CCCCCCCCCC[C@@H](C)[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nihei, K; Itoh, H; Hashimoto, K; Miyairi, K; Okuno, T Antifungal Cyclodepsipeptides, W493 A and B, from Fusarium sp.: Isolation and Structural Determination. Bioscience Biotechnology and Biochemistry 1998 62 (5) 858-863. | ||
|---|---|---|---|
| DOI | 10.1271/bbb.62.858 | PMID | 27392585 |
