Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018279
PROPERTIES
| NPAID | NPA018279 |
|---|---|
| CLUSTER ID | 887 |
| NODE ID | 768 |
| NAME | Cervimycin C |
| FORMULA | C61H81NO25 |
| MOLECULAR WEIGHT (Da) | 1228.3010 |
| ACCURATE MASS (Da) | 1227.5098 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tendae HKI-179 |
| InChIKey | CYKZTBKVWQAQLU-KSQSWLAPSA-N |
| InChI | InChI=1S/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1 |
| SMILES | C[C@@H]1[C@H](CC[C@@H](O1)O[C@H]2CC[C@@H](O[C@@H]2C)O[C@]34[C@H](CC5=C(C3=O)C(=C6C(=C5)C(=O)C(=CC6=O)OC)O)[C@H](C(=O)C(=C4O)C(=O)N)O[C@H]7CC[C@@H]([C@H](O7)C)O[C@H]8CC[C@@H]([C@@H](O8)C)O[C@H]9CC[C@@H]([C@@H](O9)C)O[C@H]1CC[C@@H]([C@@H](O1)C)OC(=O)C(C)(C)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Herold, Kerstin; Xu, Zhongli; Gollmick, Friedrich A; Grafe, Udo; Hertweck, Christian Biosynthesis of cervimycin C, an aromatic polyketide antibiotic bearing an unusual dimethylmalonyl moiety Organic & Biomolecular Chemistry 2004 2 (17) 2411-2414. | ||
|---|---|---|---|
| DOI | 10.1039/b409221j | PMID | 15326518 |
