HMDB0032250 RDKit 3D Dodecyl propionate 47 46 0 0 0 0 0 0 0 0999 V2000 -7.6158 -1.3350 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2877 -0.8182 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4577 -0.2959 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 0.2513 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -0.8329 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 -0.4063 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0885 0.0830 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.4749 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 0.9867 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 1.3436 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 1.8761 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 0.8611 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -0.3415 -1.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -0.4910 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1931 0.5327 -0.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 -1.8043 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 -1.6484 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3709 -1.9335 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0454 -2.0011 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3155 -0.5097 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5602 -0.0444 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8394 -1.6705 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2363 -1.1811 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0416 0.4249 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 0.6143 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 1.1191 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 -1.1637 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -1.7066 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 0.3486 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -1.2939 1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 0.8870 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -0.7656 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 1.2309 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -0.4715 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 1.8540 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 0.1567 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 0.4234 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 2.0669 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 2.8537 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 2.0603 -0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 0.6263 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 1.2709 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1706 -2.5346 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 -2.2568 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4322 -2.5905 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 -1.5305 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -0.7769 1.5502 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 2 0 14 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END