HMDB0000638 RDKit 3D Dodecanoic acid 38 37 0 0 0 0 0 0 0 0999 V2000 -4.3022 0.8750 -1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9507 0.2682 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 -0.8960 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -0.6543 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -0.1594 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 0.0059 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 0.5124 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 0.7320 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 -0.5487 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -0.2690 1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 0.2576 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9341 -0.6556 -0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 -1.7578 -0.9642 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -0.2695 -1.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 1.9231 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 0.2317 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1354 1.0422 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -0.0323 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0683 1.0649 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8713 -1.3570 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 -1.7130 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 -1.5760 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 0.1576 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 0.9014 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6916 -0.7476 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.9636 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 0.7640 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.2523 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 1.4786 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 1.0547 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7424 1.4952 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -1.3846 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -0.8181 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -1.2263 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 0.4514 2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 1.2355 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 0.3622 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4509 0.4674 -1.8240 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 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 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 14 38 1 0 M END