11 9 0 0001 0 0 0 0 0999 V2000 0.0000 -2.3760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 1.1535 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4535 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6069 -2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7535 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9070 -2.3760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 1.1535 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7535 -0.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6069 -3.7021 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 2.3276 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 8 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 10 1 1 6 7 1 0 6 9 2 0 M CHG 4 1 -1 7 -1 10 1 11 1 M END > InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1 > LPUQAYUQRXPFSQ-DFWYDOINSA-M > 1/1/N:4,3,5,2,6,10,1,8,7,9;11/E:(7,8)(9,10);/it:im;/rA:11cO-CCCCCO-OON+Na+/rB:s1;s2;s3;s4;s5;s6;d2;d6;P5;;/rC:0,-2.376,0;1.1535,-1.706,0;2.3,-2.376,0;3.4535,-1.706,0;4.6069,-2.376,0;5.7535,-1.706,0;6.907,-2.376,0;1.1535,-.3799,0;5.7535,-.3799,0;4.6069,-3.7021,0;2.3276,0,0; > C5 H8 N Na O4 > 169.1111 > [O-]C(=O)CC[C@H]([NH3+])C(=O)[O-].[Na+] > 76943 $$$$