HMDB0000792 RDKit 3D Sebacic acid 32 31 0 0 0 0 0 0 0 0999 V2000 5.1955 -0.5268 -2.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 -0.4396 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7105 -0.9664 -0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.2779 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 -0.7144 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 -0.0331 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 0.6116 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.3082 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 0.3298 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 1.0125 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 0.0870 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -1.0359 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 -1.2930 -0.9694 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 -1.9298 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -0.9082 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 0.9923 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 0.8253 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -1.2834 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -1.4894 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 -0.7929 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 0.7266 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 1.2799 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -0.2076 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 2.1085 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 1.8167 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 -0.1967 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -0.4493 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 1.6086 -0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5991 1.7554 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 0.7103 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 -0.2419 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -1.6272 1.2091 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 2 0 12 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 M END