Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016407
PROPERTIES
| NPAID | NPA016407 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C55H87NO15 |
| MOLECULAR WEIGHT (Da) | 1002.2930 |
| ACCURATE MASS (Da) | 1001.6076 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Zymomonas |
| ORIGIN SPECIES | mobilis |
| InChIKey | WGVVKZMRPIAFHM-AXLGNODMSA-N |
| InChI | InChI=1S/C55H87NO15/c1-30(38-20-25-51(11)39(38)21-26-53(13)43(51)18-19-44-52(12)24-15-23-50(9,10)42(52)22-27-54(44,53)14)16-17-40(67-33(4)59)46(69-35(6)61)41(68-34(5)60)28-65-48-45(56-31(2)57)47(70-36(7)62)49(71-37(8)63)55(48,64)29-66-32(3)58/h30,38-49,64H,15-29H2,1-14H3,(H,56,57)/t30?,38-,39+,40?,41?,42+,43-,44-,45-,46?,47-,48-,49+,51+,52+,53-,54-,55-/m1/s1 |
| SMILES | CC(CCC(C(C(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@]1(COC(=O)C)O)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@H]2CC[C@]3([C@H]2CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCC6(C)C)C)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 | - |
