HMDB0034153 RDKit 3D Ethyl tetradecanoate 50 49 0 0 0 0 0 0 0 0999 V2000 -6.7046 1.1362 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8774 -0.2105 0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -0.6582 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -0.7962 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2428 -1.2335 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 -1.4231 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -0.2122 -1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.9398 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 0.5857 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 0.2013 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.1547 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 0.9788 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 0.7456 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.4101 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 0.3638 -1.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4525 0.1297 0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -0.1923 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -0.4280 0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 1.6808 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 1.7269 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 0.9464 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3498 -0.9334 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4129 -0.0588 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 -1.6422 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 0.0636 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 0.2330 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 -1.4993 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 -2.1647 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 -0.4639 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 -2.2008 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -1.8414 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -0.4895 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 0.1317 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 1.8500 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 1.1485 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -0.1358 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 1.5547 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1618 1.0590 -1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 -0.6459 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 -0.4101 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -1.0517 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 1.3284 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 1.8462 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 1.6263 1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -0.1081 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4094 -1.0913 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 0.6254 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3842 -0.7802 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 0.5830 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5153 -1.0692 0.4659 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 17 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 M END