HMDB0040619 RDKit 3D Piperoic acid 56 56 0 0 0 0 0 0 0 0999 V2000 -5.7575 1.8270 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2502 0.6236 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 0.6103 -2.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.4320 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.3980 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -0.6211 1.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -1.9451 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 -3.1540 1.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 -2.2012 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1837 -1.1185 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -1.3114 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 -0.1438 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 1.2198 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.3820 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 0.7352 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2927 0.7141 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 1.5723 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 1.5293 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 2.4304 1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 2.3858 2.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6690 3.3267 2.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 0.6252 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5149 -0.2526 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4212 -1.1440 -1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -0.1807 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 -1.0292 -2.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6638 1.5674 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9827 2.2840 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0862 2.5922 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 -0.0944 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1151 0.3289 -2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 1.6272 -2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 -1.3482 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 0.5540 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 -1.2005 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -0.6500 2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9882 0.2180 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -3.4646 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 -3.9421 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7326 -2.8816 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 -3.2512 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 -0.1100 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -1.2895 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2396 -1.3419 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -2.2643 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 1.6916 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.1737 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 1.8734 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -1.3911 -0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 1.7212 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 0.6501 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 2.2680 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 4.3135 2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 0.5986 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 -1.8000 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -1.7181 -2.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 25 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 13 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 17 52 1 0 21 53 1 0 22 54 1 0 24 55 1 0 26 56 1 0 M END