HMDB0029552 RDKit 3D Ethyl undecanoate 41 40 0 0 0 0 0 0 0 0999 V2000 6.1106 0.2841 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1725 1.4414 -0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 1.1130 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -0.0542 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -0.4817 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 -1.6440 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 -2.1632 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 -1.0987 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 -1.7352 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -0.8118 1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 -0.2739 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 -0.5835 -0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 0.6415 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4274 1.1370 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5514 2.0949 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 -0.4590 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -0.2317 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1501 0.6682 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 2.3216 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 1.6308 -1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 0.9348 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 1.9990 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 0.2616 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -0.8865 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -0.7528 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 0.3764 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -1.3951 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 -2.4654 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 -2.9897 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -2.5782 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -0.7753 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -0.2164 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 -2.2168 2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4105 -2.5625 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 0.0570 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 -1.3139 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 1.7319 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8174 0.3569 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3624 1.5223 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9607 2.6294 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 2.8523 0.1923 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 2 0 11 13 1 0 13 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END