Celosianin II

Properties Image Occurences in reactions MNX_ID MNXM8385 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C40H42N2O22 charge 0 mass 902.22292 reference chebi:3530 InChIKey MPMOZJNSLITZSA-VSOFAJKKSA-N InChI InChI=1S/C40H42N2O22/c1-59-24-10-15(2-4-22(24)44)3-5-27(46)62-33-31(50)30(49)32(38(57)58)63-40(33)64-34-29(48)28(47)26(14-43)61-39(34)60-25-12-17-11-21(37(55)56)42(20(17)13-23(25)45)7-6-16-8-18(35(51)52)41-19(9-16)36(53)54/h2-8,10,12-13,19,21,26,28-34,39-40,43,47-50H,9,11,14H2,1H3,(H6,44,45,46,51,52,53,54,55,56,57,58)/t19-,21-,26+,28+,29-,30-,31-,32-,33+,34+,39+,40-/m0/s1 SMILES COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2[C@H](Oc3cc4c(cc3O)/[N+](=C/C=C3/C=C(C(=O)O)N[C@H](C(=O)O)C3)[C@H](C(=O)[O-])C4)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph