Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011560
PROPERTIES
| NPAID | NPA011560 |
|---|---|
| CLUSTER ID | 176 |
| NODE ID | 164 |
| NAME | Sch 58769 |
| FORMULA | C69H96ClNO38 |
| MOLECULAR WEIGHT (Da) | 1582.9490 |
| ACCURATE MASS (Da) | 1581.5299 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | carbonacea var africana |
| InChIKey | QOLCQSMNOVLBMK-DJELFNRCSA-N |
| InChI | InChI=1S/C69H96ClNO38/c1-24-14-31(72)16-32(73)41(24)60(81)98-37-22-92-69(59-53(37)90-23-91-59)106-38-21-89-62(46(78)52(38)107-69)104-64-55(87-12)45(77)51(36(99-64)20-85-10)102-63-47(79)54(50(86-11)27(4)95-63)103-65-56(80)67(9)58(30(7)96-65)108-68(109-67)18-34(75)48(28(5)105-68)100-39-17-35(97-40-19-66(8,71(83)84)57(88-13)29(6)94-40)49(26(3)93-39)101-61(82)42-25(2)15-33(74)43(70)44(42)76/h14-16,26-30,34-40,45-59,62-65,72-80H,17-23H2,1-13H3/t26-,27-,28-,29+,30-,34-,35-,36-,37-,38+,39+,40+,45+,46-,47-,48-,49-,50+,51-,52-,53+,54-,55+,56-,57+,58-,59-,62+,63+,64+,65+,66+,67-,68-,69-/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]1[C@H]([C@@H](CO9)OC(=O)C2=C(C=C(C=C2C)O)O)OCO1)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=C1C)O)Cl)O |
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 |
