HMDB0059719 RDKit 3D Heptylmalonic acid 32 31 0 0 0 0 0 0 0 0999 V2000 4.5232 0.2239 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.8950 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 0.7146 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -0.7701 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 -1.1301 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 -0.5575 -0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 -0.8931 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 -0.2605 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2256 -0.5810 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 -1.2809 0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2069 -0.0990 -1.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 1.2343 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 1.7822 0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 1.9357 -1.8096 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 0.0741 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8415 -0.7448 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4092 0.8670 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 0.4423 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 1.9594 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 1.1781 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 1.2496 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 -1.2688 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -1.1373 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -0.6842 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -2.2190 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -0.9873 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 0.5165 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 -1.9850 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 -0.5471 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 -0.6314 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1233 0.0666 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 2.6380 -1.4852 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 2 0 9 11 1 0 8 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 11 31 1 0 14 32 1 0 M END