29 31 0 0001 0 0 0 0 0999 V2000 3.7981 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.9320 3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.2785 -4.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.0603 -1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0427 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 7.2901 -1.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7981 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3962 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3962 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.2901 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.2829 -0.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.7319 -2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 13 2 1 1 15 3 1 6 4 20 1 0 5 24 2 0 6 25 2 0 7 12 1 0 7 14 1 0 7 16 2 0 8 16 1 0 8 25 1 0 8 28 1 0 9 17 1 0 9 18 2 0 10 24 1 0 10 25 1 0 10 29 1 0 11 12 1 0 11 13 1 0 13 15 1 0 14 17 2 0 14 19 1 0 15 20 1 0 16 18 1 0 17 22 1 0 18 24 1 0 19 21 2 0 21 23 1 0 21 26 1 0 22 23 2 0 23 27 1 0 M CHG 1 7 1 M END > 11 1 6 10 24 8 10 25 8 14 17 8 14 19 8 16 18 8 17 22 8 18 24 8 19 21 8 13 2 5 21 23 8 22 23 8 15 3 6 7 14 8 7 16 8 8 16 8 8 25 8 9 17 8 9 18 8 > InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p+1/t11-,12+,14-/m0/s1 > AUNGANRZJHBGPY-SCRDCRAPSA-O > 1/5/N:27,26,22,19,12,20,23,21,17,14,11,15,18,13,16,24,25,9,8,10,7,4,1,3,2,5,6/it:im/rA:48cOOOOOON+NNNCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;n1;s7s11;p2s11;s7;n3s13;d7s8;s9d14;d9s16;s14;s4s15;d19;s17;s21d22;d5s10s18;d6s8s10;s21;s23;s11;s12;s12;s13;s15;s19;s20;s20;s22;s8;s1;s2;s3;s26;s26;s26;s10;s27;s27;s27;s4;/rC:3.7981,-.0427,0;5.5301,1.9573,0;2.932,1.4573,0;2.932,3.4573,0;7.2785,-4.0773,0;9.0603,-1.0186,0;5.5301,-1.0427,0;7.2901,-1.008,0;5.5301,-3.0427,0;8.1962,-2.5635,0;4.6641,.4573,0;5.5301,-.0427,0;4.6641,1.4573,0;4.6641,-1.5427,0;3.7981,1.9573,0;6.3962,-1.5427,0;4.6641,-2.5427,0;6.3962,-2.5427,0;3.7702,-1.008,0;3.7981,2.9573,0;2.8641,-1.5219,0;3.7702,-3.0774,0;2.8641,-2.5635,0;7.2901,-3.0774,0;8.1962,-1.5219,0;2,-1.0186,0;2,-3.0669,0;4.6641,-.1627,0;6.1407,-.1504,0;5.7422,.5399,0;4.6641,2.0773,0;3.7981,1.3373,0;3.7773,-.3881,0;4.4087,2.8496,0;4.0101,3.5399,0;3.7773,-3.6973,0;7.2829,-.3881,0;3.2611,.2673,0;5.5301,2.5773,0;2.3951,1.7673,0;2.3121,-.4828,0;1.4643,-.7065,0;1.6879,-1.5543,0;8.7319,-2.8756,0;1.6879,-2.5311,0;2.3121,-3.6026,0;1.4643,-3.3789,0;2.932,4.0773,0; > C17 H21 N4 O6 > 377.3719 > O([H])[C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O[H])O[H])C([H])([H])[N+]1=C2C(C(N([H])C(N2[H])=O)=O)=NC2C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=C([H])C1=2 > 392525 $$$$