HMDB0293555 RDKit 3D CDP-DG(18:3(10,12,15)-OH(9)/i-14:0) 140141 0 0 0 0 0 0 0 0999 V2000 -5.7998 2.8392 -5.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 1.8955 -6.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 0.8624 -5.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 0.7294 -5.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -0.3012 -4.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 0.3458 -3.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 1.6377 -3.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 2.2706 -2.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 3.5748 -2.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 4.1845 -1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 3.5776 -1.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 5.6663 -2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 6.2958 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 6.0788 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 6.7574 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 6.5643 2.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 5.1192 3.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 4.9300 4.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 3.4629 4.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 3.0375 5.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.5265 3.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5796 1.1529 4.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 0.3822 3.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7765 0.6361 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 0.2061 2.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 0.4536 0.7098 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8183 1.7406 0.9003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 0.5594 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 -0.8757 0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -2.1501 -0.2245 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6760 -3.4621 0.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6928 -1.8727 -0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -2.2043 -1.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -2.7089 -2.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -2.7249 -4.0770 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7094 -3.2228 -5.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -2.9636 -6.2052 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5463 -3.2613 -7.3646 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 -3.9790 -8.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.2929 -9.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 -3.8622 -9.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.1582 -10.7716 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 -3.1428 -8.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -2.8525 -7.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.1709 -6.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 -1.4965 -6.0843 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7646 -1.1235 -6.8336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -1.3483 -4.5934 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2276 -1.0020 -4.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 0.8044 2.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 -0.0959 3.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -1.2458 3.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8507 0.2466 2.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -0.8777 3.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 -1.1484 4.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4646 -2.2901 5.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 -2.5335 6.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -2.9016 7.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4629 -4.1727 6.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 -4.4480 6.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5361 -5.7009 6.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 -6.1829 6.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -5.2790 6.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9741 -3.9639 6.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 -6.0337 6.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 3.4826 -6.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 2.2017 -5.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 3.4350 -5.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7385 1.4145 -7.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 2.4642 -7.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 0.2432 -5.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 1.3416 -6.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -0.9235 -4.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 -0.9620 -5.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -0.2701 -3.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 2.2759 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 1.6793 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 4.2100 -3.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 4.0728 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 3.0007 -2.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0106 5.8345 -3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 6.0737 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 5.8453 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 7.3714 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 4.9752 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0239 6.4431 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 7.8326 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 6.3242 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5725 7.0642 2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 7.0720 3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 4.5318 2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5092 4.6779 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 5.4386 5.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 5.3830 4.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6064 0.8265 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 0.9644 5.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -0.6915 3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 0.1313 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 1.7350 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 0.1102 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 -2.6863 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -3.7712 -2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 -2.1849 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -3.3282 -4.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -3.5143 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -4.3172 -8.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 -4.8686 -10.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -4.1588 -11.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 -4.3895 -10.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 -0.8305 -6.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2827 -0.3904 -6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 -0.6559 -4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 -1.8226 -4.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 0.4303 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 1.2059 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 -1.7999 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7997 -0.5794 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 -1.3010 5.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -0.2541 5.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4982 -2.0343 5.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 -3.2264 4.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5889 -1.6288 7.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 -3.3759 7.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 -2.0751 6.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8965 -3.1864 8.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4894 -4.0963 5.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 -4.9914 6.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 -3.5301 6.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -4.5488 7.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 -6.4854 6.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 -5.5102 5.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -7.1663 5.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 -6.4949 7.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -5.0893 5.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 -3.7833 7.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 -3.1030 6.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 -3.9559 7.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 -5.5730 7.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -7.0958 6.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -5.9513 5.6540 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 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 2 0 40 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 44 45 2 0 37 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 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 63 65 1 0 48 35 1 0 44 38 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 22 95 1 0 22 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 32101 1 0 34102 1 0 34103 1 0 35104 1 1 37105 1 6 39106 1 0 40107 1 0 42108 1 0 42109 1 0 46110 1 6 47111 1 0 48112 1 1 49113 1 0 53114 1 0 53115 1 0 54116 1 0 54117 1 0 55118 1 0 55119 1 0 56120 1 0 56121 1 0 57122 1 0 57123 1 0 58124 1 0 58125 1 0 59126 1 0 59127 1 0 60128 1 0 60129 1 0 61130 1 0 61131 1 0 62132 1 0 62133 1 0 63134 1 0 64135 1 0 64136 1 0 64137 1 0 65138 1 0 65139 1 0 65140 1 0 M END