HMDB0293410 RDKit 3D CDP-DG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-13:0) 139140 0 0 0 0 0 0 0 0999 V2000 2.6353 -0.8019 -1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.3623 -1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 1.1491 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 1.3634 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 2.6848 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0685 3.8249 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 4.1152 -1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 3.2495 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 3.1233 -3.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1205 1.9911 -3.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 0.7028 -3.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 -0.1020 -4.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 -0.3846 -5.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 0.0661 -5.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1236 -0.2914 -5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 0.1034 -5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 -0.3419 -6.5248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 1.0076 -4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 2.4364 -5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 2.5884 -6.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 2.3163 -5.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 2.1153 -6.9528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 2.2591 -4.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 1.9985 -4.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 2.0079 -3.2460 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4485 3.3517 -2.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 3.4901 -2.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 4.9520 -1.4315 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4842 5.5145 -1.9147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 6.0769 -1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 4.5895 0.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 3.5735 0.5498 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4812 4.1832 1.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 3.4078 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0523 2.0643 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 1.6180 2.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.2640 2.6700 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4780 -0.7463 1.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -1.8870 2.5131 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4574 -3.1093 1.8152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -4.0072 1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -5.2032 1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -5.4892 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -6.6917 -0.2797 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -4.5529 0.5862 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -3.3958 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -2.6062 1.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 -1.7124 3.7101 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5750 -2.0822 4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 -0.2205 3.7106 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2140 0.3482 4.9517 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 1.0470 -2.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 0.2715 -1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3314 0.5180 -1.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -0.7494 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -1.2232 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -2.2521 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 -2.5862 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -3.6123 2.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1273 -3.2377 3.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5694 -1.9781 4.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -2.0977 5.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -0.8826 5.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7056 -0.3563 7.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 0.0722 6.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 0.8533 7.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -0.0291 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -1.2154 -2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 -1.6561 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -0.8548 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 -0.6444 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 1.3425 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 1.6827 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0764 0.8100 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 0.6633 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 3.0152 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 2.4963 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 4.7605 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6174 5.1991 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5968 3.7638 -3.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7539 2.3237 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 4.0520 -3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1504 1.9321 -4.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 0.6818 -3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 0.1302 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 -0.4728 -5.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 -1.0100 -6.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9053 0.6737 -4.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -0.9305 -6.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 1.0390 -3.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 0.6818 -4.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 3.0581 -4.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 2.8068 -5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 3.6238 -6.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 1.9388 -7.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 0.9651 -5.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 2.6650 -5.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 1.9765 -3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 3.2625 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 4.1895 -3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 5.9060 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 4.1322 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 2.3218 3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 1.5769 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 0.2829 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -1.7741 2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -3.8411 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 -5.9338 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6328 -7.5662 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 -6.7093 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -2.2864 3.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -1.4716 5.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 0.0140 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 0.3959 5.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -1.5899 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.3313 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -0.3186 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 -1.7058 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3015 -3.1624 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 -1.9535 1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6806 -3.0112 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5308 -1.6591 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 -4.5677 2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0086 -3.8015 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -3.1292 3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 -4.0523 4.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 -1.0711 4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -1.8665 5.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6187 -2.2561 4.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 -3.0404 5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5007 -1.0295 6.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -0.0454 5.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7518 -1.0699 7.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 1.0378 7.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 -0.5860 7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0124 0.4138 5.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5806 0.6442 7.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 1.2708 8.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3595 1.6327 6.8500 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 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 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 41 42 2 0 42 43 1 0 43 44 1 0 43 45 2 0 45 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 64 66 1 0 50 37 1 0 46 40 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 6 26 99 1 0 26100 1 0 30101 1 0 34102 1 0 36103 1 0 36104 1 0 37105 1 1 39106 1 1 41107 1 0 42108 1 0 44109 1 0 44110 1 0 48111 1 6 49112 1 0 50113 1 6 51114 1 0 55115 1 0 55116 1 0 56117 1 0 56118 1 0 57119 1 0 57120 1 0 58121 1 0 58122 1 0 59123 1 0 59124 1 0 60125 1 0 60126 1 0 61127 1 0 61128 1 0 62129 1 0 62130 1 0 63131 1 0 63132 1 0 64133 1 0 65134 1 0 65135 1 0 65136 1 0 66137 1 0 66138 1 0 66139 1 0 M END