Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014694
PROPERTIES
| NPAID | NPA014694 |
|---|---|
| CLUSTER ID | 5210 |
| NODE ID | 477 |
| NAME | A-47934 |
| FORMULA | C58H44Cl3N7O21S |
| MOLECULAR WEIGHT (Da) | 1313.4440 |
| ACCURATE MASS (Da) | 1311.1377 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | toyocaensis |
| InChIKey | HRGFAEUWEMDRRZ-QLRHZSCISA-N |
| InChI | InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1 |
| SMILES | C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)O)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)OS(=O)(=O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=CC(=CC(=C9C2=CC(=CC(=C2O)Cl)[C@H](C(=O)N8)NC5=O)O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | BOECK, LAVERNE D.; MERTZ, FREDERICK P. A47934, a novel glycopeptide-aglycone antibiotic produced by a strain of Streptomyces toyocaensis. Taxonomy and fermentation studies Journal of Antibiotics 1986 39 (11) 1533-1540. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.39.1533 | PMID | 3793622 |
