Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009538
PROPERTIES
| NPAID | NPA009538 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C56H89NO15 |
| MOLECULAR WEIGHT (Da) | 1016.3200 |
| ACCURATE MASS (Da) | 1015.6232 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Zymomonas |
| ORIGIN SPECIES | mobilis |
| InChIKey | KCYUHKLSVFENND-KPGAEPCTSA-N |
| InChI | InChI=1S/C56H89NO15/c1-30-26-51(10,11)43-22-25-55(15)45(53(43,13)27-30)19-18-44-52(12)23-20-39(40(52)21-24-54(44,55)14)31(2)16-17-41(68-34(5)60)47(70-36(7)62)42(69-35(6)61)28-66-49-46(57-32(3)58)48(71-37(8)63)50(72-38(9)64)56(49,65)29-67-33(4)59/h30-31,39-50,65H,16-29H2,1-15H3,(H,57,58)/t30-,31?,39-,40+,41?,42?,43+,44-,45-,46-,47?,48-,49-,50+,52+,53+,54-,55-,56-/m1/s1 |
| SMILES | C[C@H]1C[C@@]2([C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C(C1)(C)C)C)C)C(C)CCC(C(C(CO[C@@H]6[C@@H]([C@H]([C@@H]([C@]6(COC(=O)C)O)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Herrmann, Dominique; Bisseret, Philippe; Connan, Jacques; Rohmer, Michel Relative configurations of carbapseudopentose moieties of hopanoids of the bacterium Zymomonas mobilis and the cyanobacterium 'Anacystis montana' Tetrahedron Letters 1996 37 (11) 1791-1794. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(96)00133-5 | PMID | - |
