HMDB0061656 RDKit 3D 3-Hydroxytetradecanoic acid 45 44 0 0 0 0 0 0 0 0999 V2000 6.2595 2.4077 0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 1.3658 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2727 1.0105 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -0.0468 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -0.3322 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -1.3697 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -1.5457 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -2.5701 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 -2.1722 -1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 -0.8665 -1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -0.9035 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 0.4464 -0.7724 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0125 1.4063 -0.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1224 0.3982 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8483 1.6911 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4222 2.6184 -0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 1.8725 0.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 1.9166 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 3.0301 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 3.0927 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2561 0.4726 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 1.7591 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 0.6247 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 1.9270 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2129 -0.9446 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 0.2605 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 0.5936 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.7242 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 -1.0645 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.3607 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 -0.5998 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 -1.8594 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -2.6124 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -3.5882 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 -2.9863 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 -2.1276 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 -0.5871 -2.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.0520 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -1.7259 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -0.9815 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 0.6918 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 1.8735 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7758 -0.4484 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 0.2435 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2032 2.7666 1.2704 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 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 6 13 42 1 0 14 43 1 0 14 44 1 0 17 45 1 0 M END