HMDB0030469 RDKit 3D Methyl tetradecanoate 47 46 0 0 0 0 0 0 0 0999 V2000 -7.0335 -1.4221 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 -1.4762 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 -0.8608 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6313 -0.9783 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -0.4190 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 1.0243 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 1.5539 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 1.3854 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 1.9128 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 1.2286 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 1.7327 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 1.5609 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 0.1492 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 -0.7537 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4608 -0.3223 -1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3682 -2.1198 0.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9153 -2.9248 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5956 -1.5374 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7716 -2.2360 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5514 -0.4354 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7345 -2.5031 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2647 -0.8909 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 0.1761 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 -1.4321 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0567 -0.4599 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -2.0482 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -0.5499 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 -0.9925 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 1.5829 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0157 1.3041 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 2.6409 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 1.0067 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 0.2993 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 1.8307 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 3.0081 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 1.7102 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 0.1288 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 1.4508 -1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 2.8146 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 1.1970 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 2.1642 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 1.9600 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 -0.2639 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 0.1579 1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 -3.9221 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -2.4385 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 -2.9932 -1.8086 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 13 43 1 0 13 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END