Aromatized deshydroxy-C-1027 chromophore

Properties Image Occurences in reactions MNX_ID MNXM42619 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C43H44ClN3O12 charge 0 mass 829.26135 reference chebi:2841 InChIKey BOJUNPZGRNCNTI-JJYLQHECSA-N InChI InChI=1S/C43H44ClN3O12/c1-20-39(51)46-34-26(16-23(53-6)17-31(34)55-20)40(52)57-32-19-54-33(48)18-29(45)21-10-12-30(28(44)15-21)56-38-24-11-9-22(32)14-25(24)27-8-7-13-43(27,38)59-41-36(50)35(49)37(47(4)5)42(2,3)58-41/h7-17,29,32,35-38,41,49-50H,1,18-19,45H2,2-6H3,(H,46,51)/t29-,32-,35?,36?,37?,38+,41?,43+/m0/s1 SMILES C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4ccc(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34OC3OC(C)(C)C(N(C)C)C(O)C3O)c2NC1=O

Parent-child relations graph

Deprecated MNXref IDs graph