48 49 0 0 0 0 0 0 0 0999 V2000 17.1681 -18.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1681 -17.0922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3854 -16.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5956 -17.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5956 -18.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3854 -19.1956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9541 -19.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8014 -16.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0124 -17.0922 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 23.2235 -16.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4345 -17.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6456 -16.4054 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.8566 -17.1065 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.0677 -16.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2787 -17.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4897 -16.4195 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 31.7008 -17.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9118 -16.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0094 -18.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7934 -19.1931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2221 -19.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2265 -14.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4315 -18.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6442 -19.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6411 -20.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8541 -21.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8510 -22.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0699 -20.6130 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 29.2828 -21.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0731 -19.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0707 -15.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8578 -14.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8609 -12.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6481 -12.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6512 -10.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4321 -12.8987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.2192 -12.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4291 -14.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2756 -18.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4928 -15.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2799 -14.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1183 -17.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3293 -16.4343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.3339 -15.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1273 -14.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9163 -15.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5506 -14.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7040 -14.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 4 5 2 0 0 0 24 25 1 0 0 0 11 12 1 0 0 0 25 26 1 0 0 0 5 6 1 0 0 0 26 27 2 0 0 0 12 13 1 0 0 0 26 28 1 0 0 0 6 1 2 0 0 0 28 29 1 0 0 0 13 14 1 0 0 0 28 30 1 0 0 0 1 7 1 0 0 0 14 31 1 0 0 0 14 15 2 0 0 0 31 32 1 0 0 0 5 20 1 0 0 0 32 33 1 0 0 0 15 16 1 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 16 17 1 0 0 0 34 36 1 0 0 0 4 8 1 0 0 0 36 37 1 0 0 0 17 18 1 0 0 0 36 38 1 0 0 0 1 2 1 0 0 0 15 39 1 0 0 0 9 19 1 0 0 0 16 40 1 0 0 0 8 9 1 0 0 0 40 41 2 0 0 0 2 3 2 0 0 0 19 21 2 0 0 0 9 10 1 0 0 0 10 22 1 0 0 0 3 4 1 0 0 0 18 42 2 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 46 18 1 0 0 0 11 23 1 0 0 0 44 47 1 0 0 0 10 11 2 0 0 0 46 48 1 0 0 0 M END > CHEBI:31290 > Bisibuthiamine > 2 > youvitan; vitaberin; Sulbutiamine; sulbutiamin; sulbuthiamine; bisibutiamine; Bisibuthiamine > C32H46N8O6S2 > 702.891 > 702.29817 > 0 > CC(C)C(=O)OCC\C(SS\C(CCOC(=O)C(C)C)=C(/C)N(Cc1cnc(C)nc1N)C=O)=C(\C)N(Cc1cnc(C)nc1N)C=O > InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+ > CKHJPWQVLKHBIH-GPAWKIAZSA-N > 3286-46-2 > C12750 > D01319 $$$$