HMDB0240543 RDKit 3D N-Acetyl-S-allylcysteine 26 25 0 0 0 0 0 0 0 0999 V2000 -4.4015 0.2153 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -0.5587 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 -0.7148 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 0.4281 0.1518 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 0.0597 0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.3956 -0.4430 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9811 -0.6944 0.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.1437 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -0.6091 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.8874 -1.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 0.7875 -1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 0.6183 -2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 2.0399 -0.8675 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 0.8241 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 0.3120 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -1.1102 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 -0.3684 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -1.7092 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -0.8429 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 0.9301 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.2715 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 -0.4203 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 -1.6688 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 -0.0431 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 0.7469 -2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 2.7016 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 6 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 6 9 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 13 26 1 0 M END