HMDB0112182 RDKit 3D 8-Hydroxyoctadecanoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 7.3423 0.9919 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 1.7606 1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 2.0216 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 0.7562 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 -0.0722 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 -1.3115 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 -2.3336 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -2.1283 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 -1.1667 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -1.2083 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.9049 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -1.7706 -1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -0.9566 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 0.0307 0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5451 -0.0852 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2818 0.1975 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7862 0.1299 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 1.0980 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0421 2.5022 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4724 3.3664 1.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3716 2.9843 -0.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 1.6161 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2734 0.1979 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 0.5068 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 2.7635 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 1.3064 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 2.5419 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 2.6493 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8718 1.0380 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 0.1473 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -0.3350 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 0.6144 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -1.8044 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9366 -1.0525 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 -2.8032 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 -3.2146 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -3.1378 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 -1.9248 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.0936 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 -1.4147 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 -2.2007 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.4777 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 0.1213 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 -1.4226 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 -1.9657 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 -0.7546 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -0.1051 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 1.0546 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8747 0.5281 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7001 -1.1512 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 1.1202 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 -0.6461 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0202 -0.9034 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2322 0.2505 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4062 0.9668 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8889 0.8574 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 3.2262 -1.3646 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 21 57 1 0 M END