HMDB0250173 RDKit 3D Cholesterol Linoleate 123126 0 0 0 0 0 0 0 0999 V2000 13.0227 -1.2003 1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3843 -2.6364 2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -3.5506 1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3742 -3.7482 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4159 -2.6933 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6112 -2.1173 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7713 -0.8706 -1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8016 0.3276 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8303 1.3839 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 1.6021 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 0.7517 -2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8131 0.1712 -2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6276 0.9552 -1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 1.6727 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 2.6996 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 3.3435 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 4.1515 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 3.6623 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 3.8504 -1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 2.9240 0.8778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 2.4499 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.0050 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 0.5107 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 1.5208 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.3630 -1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 2.4293 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 2.4853 2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 1.6179 2.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9154 0.5895 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 0.9809 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -0.1836 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3527 -0.2313 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 0.2434 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5549 1.7008 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3495 -0.5689 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -1.0248 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5276 0.2246 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4748 -1.6564 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 -2.8606 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8977 -3.4999 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9779 -2.6938 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2514 -3.5801 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4820 -1.5426 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -1.6925 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 -1.3857 1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 0.0829 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 3.3260 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8433 -0.6098 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0222 -0.8653 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0752 -1.0031 2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0517 -3.0313 3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5063 -2.7039 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2588 -3.2681 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3503 -4.5540 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 -4.2107 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2067 -4.6838 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3182 -1.9328 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -3.1923 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6164 -2.8744 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9654 -0.7081 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8291 0.0821 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8290 0.7949 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0594 2.2904 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3028 2.6506 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2139 1.3523 -3.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9149 -0.0598 -2.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8251 -0.7493 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 -0.4222 -3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6047 1.6722 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 0.2854 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 2.0980 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 0.8924 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 3.5320 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7434 2.2915 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7959 3.9241 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 2.5157 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 4.6059 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 5.1072 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 2.7056 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 0.7825 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 0.4357 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -0.4663 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 0.3146 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 2.2376 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 3.4287 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 1.9799 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2355 3.1843 2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 1.0844 3.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 2.2504 2.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 -0.2920 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 1.8153 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 -1.1186 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4118 -0.0240 -2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 0.4780 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6522 -1.2374 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6316 1.8150 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0265 2.3279 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4518 2.1329 -1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0069 0.0756 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5657 -1.6770 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2513 -0.1888 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7394 0.6584 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1941 0.8791 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9496 -1.8958 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1479 -0.8338 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2156 -2.5987 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8827 -3.6960 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2294 -3.8734 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7125 -4.4270 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7238 -2.3160 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8893 -2.9898 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0029 -4.5689 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7808 -3.5692 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6288 -1.5579 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1981 -1.6758 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2725 -0.5688 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4258 -1.7178 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9635 -2.6883 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 -1.6126 2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 -2.0235 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9108 0.5998 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 4.2031 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 3.7143 1.7839 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 2 3 7 8 1 0 8 9 1 0 9 10 2 3 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 35 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 21 1 0 30 24 1 0 46 33 1 0 46 29 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 25 84 1 0 25 85 1 0 25 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 47123 1 0 M END