HMDB0112183 RDKit 3D 11-Hydroxyoctadecanoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 6.7099 -1.6315 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 -0.8763 -2.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 -0.1873 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2112 0.7969 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1438 1.5074 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 0.5909 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 1.2160 1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 2.0136 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 3.0797 0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 1.2323 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 0.0813 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 0.4632 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 -0.7288 2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -1.4791 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 -0.6452 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 -1.4904 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 -0.5898 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -1.2730 -2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3949 -0.3181 -2.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 -0.6147 -3.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4462 0.9766 -2.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 -2.1918 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -1.0035 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 -2.4007 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -0.0711 -2.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -1.5363 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 0.3379 -2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -0.9879 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 0.2556 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 1.5560 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 2.2012 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 2.0439 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 0.0700 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.1972 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 1.9383 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 0.4614 2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 2.4789 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 3.8027 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0716 0.8080 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 1.9037 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 -0.3866 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 -0.7080 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 1.1345 2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 1.1105 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -1.4861 2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -0.4430 3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 -2.4130 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 -1.8616 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 0.1462 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5937 -0.2947 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -1.8642 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0659 -2.3772 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0596 0.2500 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -0.1518 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9375 -2.1730 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -1.5802 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6276 1.5056 -1.8310 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 8 10 1 0 10 11 1 0 11 12 1 0 12 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 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 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