HMDB0061859 RDKit 3D Methyl hexadecanoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 5.6602 2.9297 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 2.4611 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 1.2065 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 0.2203 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 -1.0341 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -2.0506 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 -2.0132 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 -1.0762 0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 -1.4361 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -1.3719 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 -1.7214 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 -0.7454 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1549 -1.1231 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 -0.2111 1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 1.2387 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 1.3532 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 1.0112 -1.3156 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6559 1.8312 -0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1541 1.9344 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 4.0513 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 2.6200 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 2.5621 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 2.1891 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 3.2113 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 1.4892 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 0.8215 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 0.7681 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7446 0.0525 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -0.8365 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 -1.5856 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 -3.0003 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -2.4765 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -3.0793 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 -1.9352 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 -0.9785 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 -0.0620 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 -0.6626 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -2.4028 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -0.3252 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 -2.0149 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -2.7726 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -1.5526 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 0.2694 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 -0.9072 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5442 -1.1599 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -2.1590 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 -0.5451 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5283 -0.2929 2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 1.6119 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4561 1.8639 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2255 2.2079 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5426 2.6598 -2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0543 0.9673 -2.4161 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 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 M END