29 29 0 0001 0 0 0 0 0999 V2000 6.0010 -0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.3671 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3082 -0.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.9091 1.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 1 18 1 0 15 2 1 1 16 3 1 6 4 19 1 0 5 20 2 0 6 22 1 0 7 22 2 0 12 8 1 6 8 20 1 0 8 26 1 0 14 9 1 1 9 21 1 0 9 27 1 0 10 21 1 0 10 28 1 0 10 29 1 0 11 21 2 0 11 24 1 0 12 13 1 0 12 14 1 0 13 15 1 0 13 25 1 6 14 17 1 0 15 16 1 0 16 19 1 0 17 18 2 0 18 22 1 0 20 23 1 0 M END > 13 26 6 15 2 5 16 3 6 12 8 6 14 9 5 > InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15-2)3-8(12(22)23)24-11(9)10(21)7(20)4-18/h3,6-7,9-11,18,20-21H,4H2,1-2H3,(H,16,19)(H,22,23)(H3,14,15,17)/t6-,7+,9+,10+,11+/m0/s1 > OQVXEFAXGBEUPQ-CNYIRLTGSA-N > 1/1/N:23,24,17,19,20,14,16,18,12,15,13,22,21,10,11,8,9,4,5,3,2,6,7,1/E:(22,23)/it:im/rA:46cOOOOOOONNNNCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;n8;s1s12;p9s12;p2s13;n3s15;s14;s1d17;s4s16;d5s8;s9s10d11;s6d7s18;s20;s11;s12;N13;s14;s15;s16;s17;s8;s9;s19;s19;s2;s3;s23;s23;s23;s4;s10;s10;s6;s24;s24;s24;/rC:6.001,-.806,0;5.135,1.694,0;4.269,-.806,0;2.5369,.194,0;8.3671,2.56,0;6.001,-2.806,0;7.7331,-2.806,0;6.8671,1.694,0;8.5991,.694,0;10.3312,.694,0;9.4651,-.806,0;6.8671,.694,0;6.001,.194,0;7.7331,.194,0;5.135,.694,0;4.269,.194,0;7.7331,-.806,0;6.8671,-1.306,0;3.403,.694,0;7.3671,2.56,0;9.4651,.194,0;6.8671,-2.306,0;6.8671,3.426,0;10.3312,-1.306,0;6.3301,1.004,0;5.3082,-.206,0;7.7331,.814,0;5.6719,1.004,0;4.8059,-.116,0;8.27,-1.116,0;6.3301,2.004,0;8.9091,1.2309,0;3.0044,1.1689,0;3.8015,1.1689,0;4.5981,2.004,0;3.7321,-1.116,0;7.404,3.736,0;6.5571,3.963,0;6.3301,3.116,0;2,.504,0;10.3312,1.314,0;10.8681,.384,0;6.001,-3.426,0;10.0212,-1.843,0;10.8681,-1.616,0;10.6412,-.7691,0; > C13 H22 N4 O7 > 346.3364 > O1C(C(=O)O[H])=C([H])[C@@]([H])([C@]([H])([C@]1([H])[C@@]([H])([C@@]([H])(C([H])([H])O[H])O[H])O[H])N([H])C(C([H])([H])[H])=O)N([H])/C(=N/C([H])([H])[H])/N([H])[H] > 4982077 $$$$