Bocillin FL

Properties Image Occurences in reactions MNX_ID MNXM167337 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C30H31BF2N5NaO6S charge 0 mass 661.19539 reference sabiorkM:20021 InChIKey YDFIBVMTWUHKCC-XBWPFFOSSA-M InChI InChI=1S/C30H32BF2N5O6S.Na/c1-16-13-17(2)37-22(16)14-20-8-7-19(38(20)31(37,32)33)9-12-23(39)34-18-5-10-21(11-6-18)44-15-24(40)35-25-27(41)36-26(29(42)43)30(3,4)45-28(25)36;/h5-8,10-11,13-14,25-26,28H,9,12,15H2,1-4H3,(H,34,39)(H,35,40)(H,42,43);/q;+1/p-1/t25-,26+,28-;/m1./s1 SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)Nc3ccc(OCC([O-])=N[C@@H]4C(=O)N5[C@@H](C(=O)O)C(C)(C)S[C@H]45)cc3)=[N+]1[B-]2(F)F.[Na+]

Parent-child relations graph

Deprecated MNXref IDs graph