Ketcher 05161816392D 1 1.00000 0.00000 0 47 49 0 0 0 999 V2000 17.7011 -16.9165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8416 -17.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5773 -17.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8416 -18.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9779 -16.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5815 -18.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4493 -16.8957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7136 -18.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9779 -18.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1185 -17.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4702 -18.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3296 -17.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1185 -18.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2632 -16.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3504 -18.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4743 -19.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1891 -16.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 -18.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6952 -15.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8278 -15.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9663 -15.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0988 -15.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2373 -15.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3699 -15.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5084 -15.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0929 -14.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8717 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6832 -13.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9543 -13.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9317 -12.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0810 -12.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8099 -12.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0748 -11.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6773 -12.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5506 -14.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4121 -13.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2797 -14.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1411 -13.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3023 -15.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0086 -14.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8700 -13.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5388 -12.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5329 -11.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4062 -12.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3943 -10.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3883 -9.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2075 -10.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 22 23 1 0 0 0 3 6 1 0 0 0 23 24 1 0 0 0 3 7 2 0 0 0 24 25 1 0 0 0 4 8 1 0 0 0 22 26 2 0 0 0 4 9 1 0 0 0 20 27 1 0 0 0 5 10 2 0 0 0 27 28 1 0 0 0 6 11 1 0 0 0 27 29 1 6 0 0 7 12 1 0 0 0 29 30 1 0 0 0 9 13 2 0 0 0 30 31 1 0 0 0 10 14 1 0 0 0 30 32 2 0 0 0 11 15 1 0 0 0 31 33 1 0 0 0 11 16 2 0 0 0 28 34 1 6 0 0 12 17 2 0 0 0 28 35 1 0 0 0 13 18 1 0 0 0 35 36 1 0 0 0 6 8 2 0 0 0 36 37 1 0 0 0 10 13 1 0 0 0 37 38 1 0 0 0 12 15 1 0 0 0 37 39 2 0 0 0 38 40 1 0 0 0 1 19 1 0 0 0 40 41 1 0 0 0 1 2 1 0 0 0 34 42 1 0 0 0 19 20 1 0 0 0 42 43 1 0 0 0 1 3 1 0 0 0 42 44 2 0 0 0 20 21 1 6 0 0 43 45 1 0 0 0 2 4 2 0 0 0 45 46 1 0 0 0 21 22 1 0 0 0 33 47 1 0 0 0 M END > CHEBI:32097 > Riboflavin butyrate > 2 > Riboflavin butyrate > C33H44N4O10; C33H44N4O10; C33H44N4O10 > 656.725 > 656.30574 > 0 > N1(C[C@@H]([C@@H]([C@H](OC(CCC)=O)COC(CCC)=O)OC(CCC)=O)OC(CCC)=O)C=2C=C(C)C(=CC2N=C3C1=NC(=O)NC3=O)C > InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1 > MJNIWUJSIGSWKK-BBANNHEPSA-N > 752-56-7 > D01913 $$$$