Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020115
PROPERTIES
| NPAID | NPA020115 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Ristocetin A |
| FORMULA | C95H110N8O44 |
| MOLECULAR WEIGHT (Da) | 2067.9370 |
| ACCURATE MASS (Da) | 2066.6616 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | zurida |
| InChIKey | VUOPFFVAZTUEGW-FBMDODLCSA-N |
| InChI | InChI=1S/C95H110N8O44/c1-30-47(109)18-37-20-49(30)139-50-19-35(9-16-46(50)108)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)137-52-21-38-22-53(81(52)145-95-83(76(121)72(117)56(143-95)29-134-91-78(123)73(118)67(112)32(3)136-91)147-94-82(75(120)71(116)55(27-105)142-94)146-92-77(122)69(114)48(110)28-133-92)138-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)135-57)65-89(130)101-63(90(131)132-4)43-23-39(106)24-51(140-93-79(124)74(119)70(115)54(26-104)141-93)58(43)42-17-36(10-15-45(42)107)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,48,54-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)/t31-,32-,44+,48+,54+,55-,56+,57+,59+,60+,61-,62+,63-,64+,65-,66-,67-,68+,69+,70+,71-,72+,73+,74-,75+,76-,77-,78+,79-,80+,82+,83+,91?,92-,93+,94-,95-/m0/s1 |
| SMILES | C[C@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)OC1=CC=C(C=C1)[C@H]([C@@H]1C(=O)N[C@@H](C2=CC(=C(C(=C2)O)C)OC2=C(C=CC(=C2)[C@H](C(=O)N1)N)O)C(=O)N6)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)OC)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Williams, DH; Rajananda, V; Bojesen, G; Williamson, MP Structure of the antibiotic ristocetin A Journal of the Chemical Society, Chemical Communications 1979 0 906-908. | ||
|---|---|---|---|
| DOI | 10.1039/C39790000906 | PMID | - |
