5361202 Marvin 12300716483D 45 47 0 0 1 0 999 V2000 1.1184 -0.8412 -0.0015 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 0.9866 -1.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -4.9646 -1.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -1.6252 -2.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 -2.7104 -1.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 2.9492 -1.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 4.8204 2.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 4.0187 2.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -6.6765 -2.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -0.7027 -1.4785 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 2.0045 -0.6041 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 3.5283 1.5896 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -6.7948 -0.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -0.3200 -1.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1842 1.1395 -1.6812 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4649 0.5035 -1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -1.8932 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 -2.8245 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 -2.5579 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 -4.1817 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 -2.0898 -1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 2.7896 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 3.4243 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 3.9136 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -6.1299 -1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 3.5694 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 4.2643 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 5.0439 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 3.9504 3.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 -0.7040 -2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 1.5806 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -3.0598 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 -2.9602 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 1.9776 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -4.6778 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 -4.1463 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 -1.1408 -3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 2.9065 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 4.2067 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 5.6758 3.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -7.6704 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 -6.3950 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 4.5714 4.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 2.9242 3.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 4.3179 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 21 1 0 0 0 0 4 37 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 24 1 0 0 0 0 7 28 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 25 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 15 11 1 0 0 0 0 11 22 1 0 0 0 0 11 34 1 0 0 0 0 12 23 2 0 0 0 0 13 25 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > 15 11 5 14 30 6 24 26 8 26 27 8 27 28 8 7 24 8 7 28 8 > InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1 > JFPVXVDWJQMJEE-SWWZKJRFSA-N > 1/1/N:29,27,26,28,20,19,18,24,23,15,17,22,16,14,21,25,13,11,12,10,6,2,4,5,9,8,7,3,1/E:(23,24)/it:im/rA:45cSOOOOOOOONNNNCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s8;;s1s10;s11s14;d2s10s15;s10;d17;s1s18;s3s18;s4d5s17;d6s11;d12s22;s7s23;s3d9s13;d24;s26;s7d27;s8;s14;s15;s19;s19;s11;s20;s20;s4;s26;s27;s28;s13;s13;s29;s29;s29;/rC:1.1184,-.8412,-.0015;-2.588,.9866,-1.6781;-1.2576,-4.9646,-1.3645;-3.2308,-1.6252,-2.7972;-3.7116,-2.7104,-1.1476;1.845,2.9492,-1.3147;2.6555,4.8204,2.225;.155,4.0187,2.6621;-1.3573,-6.6765,-2.5901;-1.022,-.7027,-1.4785;.0295,2.0045,-.6041;.2315,3.5283,1.5896;-2.3468,-6.7948,-.6882;.3158,-.32,-1.5339;-.1842,1.1395,-1.6812;-1.4649,.5035,-1.6278;-1.5597,-1.8932,-1.2579;-.8206,-2.8245,-.5842;.5675,-2.5579,-.1573;-1.2914,-4.1817,-.2757;-2.8359,-2.0898,-1.7306;1.0511,2.7896,-.3946;1.2509,3.4243,.8059;2.4959,3.9136,1.2267;-1.65,-6.1299,-1.5388;3.782,3.5694,.7976;4.7019,4.2643,1.5693;3.9682,5.0439,2.449;-.86,3.9504,3.5132;.8347,-.704,-2.4199;-.0178,1.5806,-2.669;1.2426,-3.0598,-.8547;.7704,-2.9602,.8377;-.6187,1.9776,.0705;-.6959,-4.6778,.4983;-2.2871,-4.1463,.1686;-2.7035,-1.1408,-3.3096;4.0301,2.9065,.0617;5.7193,4.2067,1.5074;4.3471,5.6758,3.1555;-2.618,-7.6704,-.8702;-2.5916,-6.395,.1215;-.6129,4.5714,4.3752;-.9961,2.9242,3.8605;-1.7898,4.3179,3.075; > C16 H16 N4 O8 S > 424.3853 > S1C([H])([H])C(C([H])([H])OC(N([H])[H])=O)=C(C(=O)O[H])N2C([C@]([H])([C@@]12[H])N([H])C(/C(/C1=C([H])C([H])=C([H])O1)=N/OC([H])([H])[H])=O)=O > 4514699 $$$$