12 11 0 0001 0 0 0 0 0999 V2000 3.7321 -1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 2 9 2 0 5 3 1 6 3 10 1 0 3 11 1 0 3 12 1 0 4 5 1 0 4 6 1 0 4 7 1 1 5 9 1 0 6 8 1 0 M CHG 2 1 -1 3 1 M END > 5 3 6 4 7 5 > InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1/i7+1 > AGPKZVBTJJNPAG-YVORAYLGSA-N > 1/1/N:8,7,6,4,5,9,3,1,2/E:(8,9)/it:im/I:/E:m/rA:22cO-ON+i15CCCCCCHHHHHHHHHHHHH/rB:;;;n3s4;s4;P4;s6;s1d2s5;s4;s5;s6;s6;s7;s7;s7;s3;s3;s3;s8;s8;s8;/rC:3.7321,-1.5,0;5.4641,-1.5,0;5.4641,.5,0;3.7321,.5,0;4.5981,0,0;2.866,0,0;3.7321,1.5,0;2,.5,0;4.5981,-1,0;3.1951,.81,0;4.5981,.62,0;2.4675,-.4749,0;3.2646,-.4749,0;4.3521,1.5,0;3.7321,2.12,0;3.1121,1.5,0;5.1541,1.0369,0;5.7741,-.0369,0;6.001,.81,0;2.31,1.0369,0;1.4631,.81,0;1.69,-.0369,0; > C6 H13 N O2 > 132.1663 > [O-]C([C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[15N+]([H])([H])[H])=O > 8853627 $$$$