Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015230
PROPERTIES
| NPAID | NPA015230 |
|---|---|
| CLUSTER ID | 176 |
| NODE ID | 164 |
| NAME | Sch 58773 |
| FORMULA | C69H95Cl2NO38 |
| MOLECULAR WEIGHT (Da) | 1617.3940 |
| ACCURATE MASS (Da) | 1615.4909 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | carbonacea var africana |
| InChIKey | AROCVFBMTMCKDF-AOCCOJOLSA-N |
| InChI | InChI=1S/C69H95Cl2NO38/c1-23-14-30(73)15-31(74)39(23)60(82)99-35-21-93-69(59-52(35)91-22-92-59)107-36-20-90-62(45(78)51(36)108-69)105-64-55(89-13)44(77)50(34(100-64)19-86-10)103-63-46(79)54(49(87-11)26(4)96-63)104-65-57(81)67(9)58(29(7)97-65)109-68(110-67)17-32(75)47(27(5)106-68)101-37-16-33(98-38-18-66(8,72(84)85)56(80)28(6)95-38)48(25(3)94-37)102-61(83)40-24(2)41(70)43(76)42(71)53(40)88-12/h14-15,25-29,32-38,44-52,54-59,62-65,73-81H,16-22H2,1-13H3/t25-,26-,27-,28+,29-,32-,33-,34-,35-,36+,37+,38+,44+,45-,46-,47-,48-,49+,50-,51-,52+,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)O)(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 |
