Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011558
PROPERTIES
| NPAID | NPA011558 |
|---|---|
| CLUSTER ID | 2210 |
| NODE ID | 1757 |
| NAME | Clonostachin |
| FORMULA | C78H134N14O25 |
| MOLECULAR WEIGHT (Da) | 1668.0030 |
| ACCURATE MASS (Da) | 1666.9645 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clonostachys |
| ORIGIN SPECIES | sp. F5898 |
| InChIKey | FXTKDCWUFZIDPM-QPEYCMPISA-N |
| InChI | InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,75+,76+,77-,78+/m0/s1 |
| SMILES | CC[C@H](C)[C@H](C(=O)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C(C)(C)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4C[C@H](CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | CHIKANISHI, TOSHIHIRO; HASUMI, KEIJI; HARADA, TOMOTAKA; KAWASAKI, NOBUHIDE; ENDO, AKIRA Clonostachin, a Novel Peptaibol That Inhibits Platelet Aggregation Journal of Antibiotics 1997 50 (2) 105-110. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.105 | PMID | 9099218 |
