Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021294
PROPERTIES
| NPAID | NPA021294 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Epelmycin A |
| FORMULA | C42H53NO15 |
| MOLECULAR WEIGHT (Da) | 811.8780 |
| ACCURATE MASS (Da) | 811.3415 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | violaceus |
| InChIKey | GSCMQULDSZTLKO-NFDDGJDISA-N |
| InChI | InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20-,22+,25-,26-,27-,28-,29+,35+,40+,42+/m0/s1 |
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@@H]1C(=O)OC)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@@H]5C[C@H]([C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Johdo O; Ishikura T; Yoshimoto A; Takeuchi T Anthracycline metabolites from Streptomyces violaceus A262. I. Isolation of antibiotic-blocked mutants from Streptomyces violaceus A262. Journal of Antibiotics 1991 44 (10) 1110-1120. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.44.1110 | PMID | 1955394 |
