HMDB0061655 RDKit 3D 3-hydroxytridecanoic acid 42 41 0 0 0 0 0 0 0 0999 V2000 -5.4836 1.3034 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7506 -0.0341 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 -0.4843 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -0.7186 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 0.4298 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 0.0598 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.4114 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -0.7772 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 0.3885 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 0.0354 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 -0.4469 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.5042 1.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -0.9740 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2183 -0.0075 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3284 -0.4458 -1.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9504 1.3118 -1.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1852 1.1843 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4621 1.8994 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8049 1.9070 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7431 0.0621 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9612 -0.8119 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7596 0.2290 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 -1.4487 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 -1.6326 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -1.0254 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 0.7521 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 1.3077 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 1.0304 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -0.6344 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -1.2924 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 0.3841 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 -1.1147 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 -1.5703 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 1.1868 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 0.8465 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -0.7156 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 0.9448 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5195 -1.3168 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 1.3993 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9009 -1.4734 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 -1.8138 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6857 1.9831 -1.1511 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 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 16 42 1 0 M END