HMDB0061659 RDKit 3D 2(R)-hydroxyicosanoic acid 63 62 0 0 0 0 0 0 0 0999 V2000 6.9860 -2.9959 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -2.3316 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -0.9414 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 -1.0853 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 0.2559 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 1.0305 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 2.3499 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 2.1685 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6483 1.3895 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 1.1977 1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 2.4823 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 2.4237 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 1.8906 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 0.4803 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 -0.4690 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 -0.3266 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -0.5880 -1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4167 -0.4629 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9178 -1.4262 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3175 -1.2186 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7149 -2.8311 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5717 -3.3209 -0.3693 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7968 -3.6782 -0.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -2.2066 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 -3.6319 -1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 -3.6403 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -2.3258 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 -2.9663 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 -0.3510 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 -0.4177 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.6870 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 -1.5898 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 0.7888 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 0.0121 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5435 1.2781 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 0.4344 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 2.8664 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 3.0036 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 1.6413 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8741 3.1792 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 0.4257 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 1.9489 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 0.5531 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 0.6233 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 3.1099 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 3.1334 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 3.4336 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 1.7967 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 2.4960 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5348 2.0638 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 0.3222 -2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.2464 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -1.5357 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.3198 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4985 -1.0014 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 0.7079 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -1.5611 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 0.2179 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6144 0.5781 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9505 -0.7049 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 -1.1925 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5631 -0.3516 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7417 -3.3706 -0.5273 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 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 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 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 20 62 1 0 23 63 1 0 M END