HMDB0061660 RDKit 3D 2(R)-hydroxydocosanoic acid 69 68 0 0 0 0 0 0 0 0999 V2000 9.7125 1.4388 -1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 0.4035 -1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 1.1160 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 0.1369 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 0.9262 -1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -0.0166 -1.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -0.9712 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 -1.8864 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -1.1694 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -0.3912 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 0.3120 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 1.1266 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 0.3062 2.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -0.7559 2.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -0.1280 2.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 -1.2410 2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5394 -0.6566 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6508 0.1351 1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 -0.7433 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4289 0.0171 -1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 0.6536 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 1.5853 -0.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6752 1.3396 -2.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3123 0.6379 -3.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9993 2.6688 -2.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2907 2.4238 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2547 1.5661 -2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4297 1.1734 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 -0.1596 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 -0.2858 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2753 1.7323 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 1.7087 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 -0.5816 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2444 -0.4362 -2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 1.5745 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 1.5667 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 -0.6328 -2.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.5097 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -0.4827 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -1.6665 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -2.5466 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -2.5870 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -1.9711 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.4771 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 0.3189 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.1258 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -0.4105 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 1.0240 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 1.6388 1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 1.8963 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 1.0185 3.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 -0.0934 3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 -1.4594 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -1.3431 3.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 0.6226 3.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 0.2940 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1151 -1.7561 3.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 -1.9709 1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2799 -1.4611 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7208 0.0292 3.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1158 1.0780 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7581 0.3867 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1175 -1.5858 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 -1.2144 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0987 -0.6392 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 0.8643 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5568 -0.1394 -1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1265 1.6881 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9425 3.0439 -2.9344 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 20 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 25 69 1 0 M END