Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011158
PROPERTIES
| NPAID | NPA011158 |
|---|---|
| CLUSTER ID | 176 |
| NODE ID | 164 |
| NAME | Sch 58775 |
| FORMULA | C70H97Cl2NO39 |
| MOLECULAR WEIGHT (Da) | 1647.4200 |
| ACCURATE MASS (Da) | 1645.5015 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | carbonacea var africana |
| InChIKey | NJTDGKBSSNFZHZ-NBZATOKKSA-N |
| InChI | InChI=1S/C70H97Cl2NO39/c1-24-15-31(75)16-32(76)40(24)61(84)101-36-22-95-70(57(82)53(36)94-23-74)109-37-21-93-63(46(80)52(37)110-70)107-65-56(91-13)45(79)51(35(102-65)20-88-10)105-64-47(81)55(50(89-11)27(4)98-64)106-66-58(83)68(9)60(30(7)99-66)111-69(112-68)18-33(77)48(28(5)108-69)103-38-17-34(100-39-19-67(8,73(86)87)59(92-14)29(6)97-39)49(26(3)96-38)104-62(85)41-25(2)42(71)44(78)43(72)54(41)90-12/h15-16,23,26-30,33-39,45-53,55-60,63-66,75-83H,17-22H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58-,59+,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H]([C@H]([C@]4(O3)C)O)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@@H]([C@H]([C@@H](CO9)OC(=O)C1=C(C=C(C=C1C)O)O)OC=O)O)O)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chu, Min; Mierzwa, Ronald; Jenkins, John; Chan, Tze-Ming; Das, Pradip; Pramanik, Birendra; Patel, Mahesh; Gullo, Vincent Isolation and characterization of novel oligosaccharides related to Ziracin Journal of Natural Products 2002 65 (11) 1588-1593. | ||
|---|---|---|---|
| DOI | 10.1021/np020093t | PMID | 12444681 |
