19 19 0 0001 0 0 0 0 0999 V2000 8.0602 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.6779 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.8254 -1.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7514 -1.3272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.8989 -1.9909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 11.5166 -3.3319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.6039 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3088 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4702 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6039 -3.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5166 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3088 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4425 -3.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.2077 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3691 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6779 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1475 -4.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 2 18 2 0 3 18 1 0 4 19 1 0 5 6 1 0 5 8 1 0 6 12 1 0 13 7 1 1 8 10 2 0 8 11 1 0 9 14 2 0 9 15 1 0 9 19 1 0 10 14 1 0 11 15 2 0 12 16 1 0 13 17 1 0 13 18 1 0 16 17 1 0 M END > InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1 > SRSPQXBFDCGXIZ-JTQLQIEISA-N > 1/1/N:14,15,10,11,17,16,19,9,8,13,12,18,7,5,6,4,1,2,3/E:(1,2)(3,4)(18,19)/it:im/rA:19cOOOONNNCCCCCCCCCCCC/rB:;;;;s5;;s5;;d8;s8;d1s6;p7;d9s10;s9d11;s12;s13s16;d2s3s13;s4s9;/rC:8.0602,0,0;12.6779,0,0;13.8254,-1.9909,0;0,-3.3458,0;5.7514,-1.3272,0;6.8989,-1.9909,0;11.5166,-3.3319,0;4.6039,-1.9909,0;2.3088,-3.3458,0;3.4702,-1.3411,0;4.6039,-3.3319,0;8.0602,-1.3272,0;11.5166,-1.9909,0;2.3088,-2.0047,0;3.4425,-3.9955,0;9.2077,-1.9909,0;10.3691,-1.3272,0;12.6779,-1.3272,0;1.1475,-4.0094,0; > C12 H17 N3 O4 > 267.2811 > O=C(CC[C@@H](C(O)=O)N)NNC1C=CC(CO)=CC=1 > 388610 $$$$