HMDB0254925 RDKit 3D Propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate 57 58 0 0 0 0 0 0 0 0999 V2000 -6.0633 -1.3186 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 -0.9789 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 0.3345 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 0.6826 0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.0393 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.0850 1.2916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4685 0.3528 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 1.5000 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3899 2.4662 -0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 3.0082 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 3.9260 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 4.3022 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 3.7360 -2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 2.8288 -2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 1.7965 -1.3633 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 0.9694 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 1.2542 -1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 0.4273 -3.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 -0.1719 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -1.0901 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 -2.0221 -1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 -0.8181 0.7763 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4442 -2.0403 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 -1.8315 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -0.5254 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -1.7552 0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -1.5363 2.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 -2.8300 3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 -0.5635 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8369 -1.4135 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9804 -2.3213 1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8457 -0.8672 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -1.8103 0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8998 1.1199 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 0.2719 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 2.7737 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 4.3605 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 5.0211 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 4.0320 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 2.3843 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 0.9813 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 2.3154 -2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 -0.2267 -3.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 1.0597 -4.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2588 -0.2179 -3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 -1.8922 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 -3.0701 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9805 -2.5767 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 -0.8183 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -1.9017 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 -2.4236 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -2.3688 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 -0.7818 2.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -1.1960 2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 -3.3493 2.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4601 -3.5134 2.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -2.5495 4.2171 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 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 19 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 25 7 1 0 14 9 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 26 51 1 0 26 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 28 56 1 0 28 57 1 0 M END