HMDB0240578 RDKit 3D 4-Hydroxynonenal glutathione 64 64 0 0 0 0 0 0 0 0999 V2000 5.6569 -2.3917 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -1.7099 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 -0.3000 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 0.7348 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 1.1240 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 0.1270 1.2287 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8499 -1.0426 0.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -1.6384 1.7191 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6265 -2.7744 2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -0.5815 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 0.6708 1.9716 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7370 0.9217 0.7910 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 1.5571 1.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 1.7733 0.6475 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1825 0.5010 0.0358 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -0.1744 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 0.3731 1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 -1.4609 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 -1.9312 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -3.2426 -0.4709 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6159 -4.3167 -0.1415 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7156 -3.1678 -1.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4597 -2.3066 -2.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -4.0740 -2.7546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 2.8195 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 2.5510 -1.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 4.1268 0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9611 5.1525 -0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 5.3787 -1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 4.6955 -1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 6.3348 -2.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 -3.4719 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -2.2866 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -1.9563 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2369 -2.2484 -2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -2.0825 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1585 -0.2706 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 -0.0023 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9556 0.4782 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 1.6926 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 2.0337 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 1.6086 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 -0.0848 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -1.8811 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -3.5568 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -0.6141 3.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -0.6665 3.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 1.5392 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 2.5351 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.8154 2.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 2.0541 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 0.1023 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8155 -1.3237 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -2.2457 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 -1.1730 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -2.0393 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5224 -3.5030 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -5.2172 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 -4.4397 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 -4.0651 -2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 4.3516 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 4.8676 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 6.1051 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 7.2162 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 14 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 11 6 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 1 8 44 1 6 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 1 13 49 1 0 13 50 1 0 14 51 1 1 15 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 1 21 58 1 0 21 59 1 0 24 60 1 0 27 61 1 0 28 62 1 0 28 63 1 0 31 64 1 0 M END