HMDB0059870 RDKit 3D Ethyl pentadecanoate 53 52 0 0 0 0 0 0 0 0999 V2000 -6.6000 1.4383 2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5562 0.2271 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 -0.1896 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 -1.3735 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -2.0767 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 -1.4943 -0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0855 -0.3364 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 0.1154 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -0.9478 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -0.3708 -2.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 0.8235 -1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 0.4993 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 1.7787 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9377 1.6232 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 0.6607 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 -0.0279 0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7623 0.4876 2.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -0.4314 2.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 -0.0105 1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 2.3279 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2231 1.1958 3.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6059 1.7213 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1231 -0.6148 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0356 0.4908 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 0.7158 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 -0.4053 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7797 -1.1812 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -2.1411 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -2.5651 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2683 -3.0422 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 -2.3158 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 -1.3121 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 0.5916 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 -0.6109 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 0.5252 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 0.9612 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -1.8524 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 -1.2714 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8175 -1.1474 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -0.0532 -3.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 1.1030 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 1.6938 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 0.0958 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 -0.2725 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 2.5354 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 2.1076 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 2.6229 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.3289 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5126 -1.4781 2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 -0.3642 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7168 1.0395 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 -0.1069 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -0.7167 0.3553 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 9 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 M END