Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014508
PROPERTIES
| NPAID | NPA014508 |
|---|---|
| CLUSTER ID | 176 |
| NODE ID | 164 |
| NAME | Sch 58771 |
| FORMULA | C70H98ClNO38 |
| MOLECULAR WEIGHT (Da) | 1596.9760 |
| ACCURATE MASS (Da) | 1595.5455 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | carbonacea var africana |
| InChIKey | FLUSUFZXDQYQHR-ZHWARYNPSA-N |
| InChI | InChI=1S/C70H98ClNO38/c1-25-15-32(73)17-33(74)42(25)61(81)99-38-23-93-70(60-53(38)91-24-92-60)107-39-22-90-63(46(78)52(39)108-70)105-65-56(88-13)45(77)51(37(100-65)21-85-10)103-64-47(79)55(50(86-11)28(4)96-64)104-66-57(80)68(9)59(31(7)97-66)109-69(110-68)19-35(76)48(29(5)106-69)101-40-18-36(98-41-20-67(8,72(83)84)58(89-14)30(6)95-41)49(27(3)94-40)102-62(82)43-26(2)16-34(75)44(71)54(43)87-12/h15-17,27-31,35-41,45-53,55-60,63-66,73-80H,18-24H2,1-14H3/t27-,28-,29-,30+,31-,35-,36-,37-,38-,39+,40+,41+,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]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)OC |
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 |
