| Name |
Nilotinin D2 |
| Formula |
C58H50O44 |
| Mw |
1450.16749498 |
| CAS RN |
1194825-85-8 |
| C_ID |
C00048493
, 
|
| InChIKey |
TUMMIXFZPRGUBO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-12-35(57(109-60(95)15-1-23(70)41(81)24(71)2-15)56-33(80)13-103-63(98)18-7-28(75)44(84)49(89)37(18)39-20(65(100)108-56)9-30(77)46(86)51(39)91)106-67(102)22-11-32(79)48(88)53(93)55(22)105-34-6-17(5-27(74)43(34)83)62(97)112-68-54(94)59(111-61(96)16-3-25(72)42(82)26(73)4-16)58-36(107-68)14-104-64(99)19-8-29(76)45(85)50(90)38(19)40-21(66(101)110-58)10-31(78)47(87)52(40)92/h1-12,33,35-36,54,56-59,68,70-94H,13-14H2/t33-,35+,36+,54-,56-,57-,58-,59-,68+/m0/s1 |
| SMILES |
[C@H]1([C@H](O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)Oc1c(cc(c(c1O)O)O)C(=O)O[C@@H]([C@@H]([C@@H]1[C@H](COC(=O)c2c(c3c(C(=O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)C=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Tamaricaceae | Tamarix nilotica | Ref. |
|
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