HMDB0038969 RDKit 3D Dodecyl acetate 44 43 0 0 0 0 0 0 0 0999 V2000 5.9455 -0.4525 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 -0.1905 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 -0.8636 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 -0.7038 -1.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 -1.2542 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -0.7724 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 0.7199 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.1558 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 0.4929 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7482 0.7795 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 0.0703 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1156 0.2760 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 -0.4453 0.1723 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4457 -0.4755 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6437 -1.2153 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5007 0.1652 -1.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7006 0.1354 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8088 -0.0790 2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -1.5419 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6131 0.9117 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 -0.4472 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -0.5021 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 -1.9919 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 -1.1064 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 0.4167 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 -2.3938 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 -1.0871 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 -1.1664 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 -1.2214 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 0.9958 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 1.2551 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 2.2407 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 0.9253 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.8507 2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 -0.6224 1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 0.4771 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 1.8623 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 0.5327 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.0041 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 -0.1159 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3837 1.3338 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -2.2755 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7217 -1.2297 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 -0.7923 -0.4319 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 14 16 2 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 M END