HMDB0000394 RDKit 3D 3-Hydroxytetradecanedioic acid 45 44 0 0 0 0 0 0 0 0999 V2000 7.6412 -0.3821 0.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2654 -0.2344 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 -0.1080 -1.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8188 -0.2073 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -0.3406 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5386 -0.3021 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -0.4398 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -0.3983 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 0.9060 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 1.0233 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 0.8835 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 1.0398 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 0.0160 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 0.1319 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 -0.8773 -1.9019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7944 0.0407 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7845 -1.2232 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 -1.6626 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9553 -1.9428 1.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0578 0.3467 -2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5373 -1.0509 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 0.7339 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 0.5716 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -1.2099 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3016 -1.1705 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 0.6105 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 0.3163 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -1.4370 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 -0.6869 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -1.1819 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 1.7127 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 1.1249 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 0.2435 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 2.0075 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.7027 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 -0.1209 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6721 0.9170 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 2.0876 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -0.9831 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 0.2082 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9091 1.1042 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 -0.5052 -2.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 0.9270 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8139 0.1825 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5998 -2.0970 0.2190 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 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 19 45 1 0 M END