HMDB0285985 RDKit 3D PC(16:0/18:3(9,11,15)-OH(13)) 131130 0 0 0 0 0 0 0 0999 V2000 6.8321 -5.0007 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 -4.9372 -2.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 -4.0978 -2.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -2.9930 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 -2.0846 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 -2.5377 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 -2.6585 -2.5887 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5587 -3.8049 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -4.4487 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -5.6875 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -6.3119 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5673 -7.5548 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -7.5649 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 -6.6920 2.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -5.2115 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7519 -4.6848 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 -3.1831 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -2.4028 2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 -0.9519 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5925 -0.2449 2.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -0.2665 1.8223 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 1.1272 1.6510 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1913 1.5437 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4019 1.3504 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 0.3286 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -0.7983 -0.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 0.3089 -2.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 1.4303 -3.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7282 2.7835 -3.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 3.7549 -2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 3.7811 -1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 3.9934 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8712 3.0134 -2.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 1.6720 -1.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5595 1.9311 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6789 0.7658 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -0.3933 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2753 -1.2595 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3441 -2.3981 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1383 -3.3262 -1.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3335 -2.5169 -3.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 1.6501 2.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 3.0277 2.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 3.7045 3.9951 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3652 4.1375 5.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 2.5552 4.7293 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2145 5.0685 3.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 5.1512 4.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 6.4086 3.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 6.4217 2.1864 N 0 0 0 0 0 4 0 0 0 0 0 0 4.5891 5.1077 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 7.2248 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 7.0684 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2726 -4.1148 -4.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 -5.0929 -4.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1973 -5.8887 -4.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0144 -4.4009 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -5.9566 -2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -4.3972 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 -2.7486 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -1.9732 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4171 -1.0405 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -1.7183 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -1.9219 -2.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -4.2685 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 -4.0339 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 -6.1434 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 -5.8003 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 -8.3156 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -7.9390 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -7.3913 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -8.6323 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 -6.8737 3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0456 -6.9935 3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -4.7385 3.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 -4.8937 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 -4.8878 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6627 -5.1629 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 -2.8731 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -2.9947 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.7746 3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 -2.6849 3.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 1.5454 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 2.6817 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 1.1882 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 -0.6632 -3.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 0.0011 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 1.0302 -4.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 1.4587 -3.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 3.3227 -4.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 2.8225 -4.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 3.7504 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 4.8403 -3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 4.6781 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 2.9270 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 4.9469 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5167 4.3488 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 2.8638 -3.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9494 3.3983 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6888 1.1024 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 1.2052 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5914 2.3892 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 2.6980 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 1.1033 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6052 0.3131 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6074 -0.0220 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -1.0816 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 -1.7446 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4253 -0.8635 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2078 -2.9149 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3232 -1.9047 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8477 -4.1565 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1099 -3.7539 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3801 -2.1274 -3.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9804 -1.6297 -2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8872 -3.1444 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 1.2206 2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 1.2914 3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 5.2225 5.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 4.2440 3.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 6.4500 4.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 7.2858 3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 5.2375 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 4.6877 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 4.4321 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 6.8924 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 8.2998 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2965 7.1436 2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 6.6247 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 6.8617 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 8.1648 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 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 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 22 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M CHG 2 46 -1 50 1 M END