HMDB0000872 RDKit 3D Tetradecanedioic acid 44 43 0 0 0 0 0 0 0 0999 V2000 5.9392 -1.7601 1.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -1.5516 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 -1.6029 0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 -1.2669 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 -1.1112 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9216 0.0482 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 0.2722 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 0.5188 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 0.7319 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 0.9853 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2207 1.1901 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 1.4477 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 1.6370 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1178 0.5464 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4537 -0.7538 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4035 -1.5200 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -1.6618 -1.8628 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4109 -2.1522 0.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3931 -0.9205 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -0.2492 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5882 -2.0086 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 -2.0763 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -0.9924 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -0.0571 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 0.9542 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 -0.5998 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 1.1566 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -0.4195 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 1.3559 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.1446 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 1.5940 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 0.1777 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 1.9337 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 0.3126 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1192 2.1141 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 2.4296 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 0.7030 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3828 1.9732 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 2.5584 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 0.3563 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0764 0.9265 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3086 -0.5985 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 -1.4045 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -3.0715 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 18 44 1 0 M END