HMDB0035669 RDKit 3D 8-Hydroxy-6-heneicosanone 65 64 0 0 0 0 0 0 0 0999 V2000 8.1721 2.7098 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7816 1.3179 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8276 0.6795 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 1.4960 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 0.8746 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -0.5271 0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 -0.5149 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 -1.9396 -0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -2.5916 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.8160 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 -2.5490 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 -2.0580 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 -1.9036 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -1.0285 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.0744 -1.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 0.4298 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 0.5075 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9536 0.6133 1.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 0.4579 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 0.5353 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7827 0.4638 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 1.5474 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0176 2.9335 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2926 2.8149 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7545 3.4345 -1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9499 2.9580 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 1.2926 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 0.6706 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5908 -0.3363 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 0.5822 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.5138 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0559 1.5850 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 0.8947 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 1.5150 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5122 -0.8936 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 -1.2151 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 0.1617 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -0.1332 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 -1.9920 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -2.5269 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -3.6271 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -2.7287 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -0.7615 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.9518 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -3.6457 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -2.7197 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -2.7815 2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 -1.1357 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 -2.9766 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 -1.8303 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 -1.3544 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -0.6647 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 0.8819 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9109 0.9923 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 1.2090 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -0.5547 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4257 -0.3987 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 1.4007 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5980 0.5474 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9493 -0.5053 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3738 1.4898 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0635 1.3842 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7929 2.8093 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3365 3.6185 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 3.4140 -0.3070 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 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 M END