2083 Marvin 12300703363D 38 38 0 0 1 0 999 V2000 0.1797 -1.2973 -2.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 4.6425 -1.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 1.5896 -0.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -1.8998 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 -2.3620 1.6246 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7534 -0.6289 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -0.2457 -1.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5287 -3.7067 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 -2.6307 2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -1.3440 2.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 1.0517 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 1.0946 -1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 2.2747 -1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 2.3127 -1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 3.5221 -1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 3.4982 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 2.2584 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 0.1810 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -0.6966 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -1.8083 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -0.1506 -1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -4.4523 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4695 -3.5739 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 -4.1264 2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -3.3073 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -3.0755 3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -1.7129 2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5617 -1.1236 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 -1.7252 3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -0.3983 2.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 0.2135 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 2.2866 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 -0.9586 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 4.3689 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 1.7192 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 3.2446 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 5.3887 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 1.5777 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 33 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > 7 1 3 11 12 8 11 13 8 12 14 8 13 16 8 14 15 8 15 16 8 > InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 > NDAUXUAQIAJITI-LBPRGKRZSA-N > 1/0/N:8,9,10,13,16,12,6,17,11,14,15,7,5,4,3,2,1/E:(1,2,3)/it:im/rA:38cOOONCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s1s6;s5;s5;s5;s7;d11;s11;s12;s2d14;d13s15;s3s14;s6;s6;s4;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s12;s13;s1;s16;s17;s17;s2;s3;/rC:.1797,-1.2973,-2.1285;2.1801,4.6425,-1.2908;4.27,1.5896,-.1252;-1.4828,-1.8998,.23;-1.7551,-2.362,1.6246;-.7534,-.6289,.0204;-.5141,-.2457,-1.4567;-2.5287,-3.7067,1.4863;-.4247,-2.6307,2.3943;-2.6517,-1.344,2.3955;.2223,1.0517,-1.471;1.6344,1.0946,-1.4189;-.4817,2.2747,-1.4321;2.3492,2.3127,-1.3539;1.6102,3.5221,-1.3357;.2019,3.4982,-1.3638;3.832,2.2584,-1.3038;-1.3178,.181,.4872;.2219,-.6966,.5062;-2.3832,-1.8083,-.247;-1.4765,-.1506,-1.9681;-1.9416,-4.4523,.9453;-3.4695,-3.5739,.9473;-2.7695,-4.1264,2.4664;.221,-3.3073,1.8291;-.6083,-3.0755,3.3738;.1375,-1.7129,2.5728;-3.5617,-1.1236,1.8322;-2.9429,-1.7252,3.3757;-2.1369,-.3983,2.5714;2.1565,.2135,-1.4122;-1.5065,2.2866,-1.4338;.3587,-.9586,-3.031;-.3368,4.3689,-1.3285;4.2086,1.7192,-2.1756;4.298,3.2446,-1.3075;1.7128,5.3887,-1.289;5.2487,1.5777,-.1854; > C13 H21 N O3 > 239.3107 > O([H])[C@]([H])(C1C([H])=C([H])C(=C(C([H])([H])O[H])C=1[H])O[H])C([H])([H])[N@]([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] > 1999 $$$$