Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032756
PROPERTIES
| NPAID | NPA032756 |
|---|---|
| CLUSTER ID | 176 |
| NODE ID | 164 |
| NAME | Everninomicin D |
| FORMULA | C66H99Cl2NO35 |
| MOLECULAR WEIGHT (Da) | 1537.3960 |
| ACCURATE MASS (Da) | 1535.5375 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | carbonaceae |
| InChIKey | HZLMUDOBOCVXQT-YOQBUGDQSA-N |
| InChI | InChI=1S/C66H99Cl2NO35/c1-25-39(50(81-13)41(68)42(71)40(25)67)58(74)97-46-26(2)89-36(17-33(46)93-37-19-62(8,69(76)77)54(84-16)29(5)90-37)95-45-28(4)100-65(18-32(45)70)103-55-30(6)91-38(20-63(55,9)104-65)96-51-44(73)59(92-27(3)47(51)80-12)98-48-34(21-78-10)94-61(52(82-14)43(48)72)99-60-53(83-15)49-35(22-85-60)101-66(102-49)57-56(86-24-87-57)64(75,23-88-66)31(7)79-11/h26-38,43-49,51-57,59-61,70-73,75H,17-24H2,1-16H3/t26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,43+,44-,45-,46-,47+,48-,49-,51-,52+,53-,54+,55-,56-,57-,59+,60+,61+,62+,63-,64-,65-,66-/m1/s1 |
| SMILES | COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@](O)([C@H](C)OC)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2OC)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@H]2C[C@@]3(C)O[C@@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)C6=C(C)C(Cl)=C(O)C(Cl)=C6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ganguly, A. K.; Sarre, O. Z.; Greeves, D.; Morton, J. Structure of everninomicin D Journal of the American Chemical Society 1975 97 (7) 1982-1985. | ||
|---|---|---|---|
| DOI | 10.1021/ja00840a078 | PMID | 1133407 |
