HMDB0032791 RDKit 3D Methyl 15-cyanopentadecanoate 51 50 0 0 0 0 0 0 0 0999 V2000 7.7531 1.8196 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4314 1.4161 1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 0.3328 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -0.2425 -0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 -0.0546 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9564 -1.2159 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -0.9312 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 0.2674 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6241 -0.0274 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6983 1.1210 -1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 0.8126 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -0.3947 -1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -0.7007 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.9598 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 -1.3523 1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0577 -0.5197 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8084 -0.1582 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 0.6777 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8198 1.0794 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4558 1.3787 -1.4469 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3979 0.9437 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 2.4792 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 2.4010 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4394 -0.3171 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 0.8224 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -1.5100 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -2.0962 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 -1.8043 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 -0.8258 -1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 0.4059 -2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 1.2133 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -0.9122 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -0.2418 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0581 2.0701 -0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 1.3228 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 0.5602 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 1.6900 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -0.2067 -2.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 -1.3085 -1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0241 -1.6050 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 0.2087 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 -0.1077 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 -1.8072 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2312 -2.3867 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -1.6158 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 0.4074 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8107 -1.1079 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3088 0.4842 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2169 -1.0636 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 0.0377 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6138 1.5219 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 3 0 1 21 1 0 1 22 1 0 1 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 M END