HMDB0052790 RDKit 3D TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 163162 0 0 0 0 0 0 0 0999 V2000 1.6773 3.8526 2.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 2.3700 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 1.9598 3.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 1.4774 3.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 1.2315 1.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 1.5453 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 0.7102 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -0.7544 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 -1.0664 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -1.9025 -2.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3649 -2.8078 -2.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -2.9763 -1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 -2.7629 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 -2.3243 -3.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 -1.0830 -4.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 -0.1752 -3.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -0.1208 -1.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -0.0778 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -0.0064 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 0.0584 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -1.0388 1.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 1.2091 1.5959 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5761 1.3183 2.3473 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6106 2.2358 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 1.8594 0.6236 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 0.6971 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 0.0509 1.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6807 0.1427 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0739 0.2291 -1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 1.6673 -2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 1.7454 -3.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 2.2917 -4.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2686 2.9323 -3.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0365 4.3570 -3.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 4.8104 -3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 4.0558 -3.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 4.2735 -2.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 5.1244 -2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 6.0865 -1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 7.4775 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 8.3390 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 8.1052 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 8.3326 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 9.7546 1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 9.9623 2.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 9.0016 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 1.7322 3.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 0.6847 4.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 0.5172 5.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 1.3927 6.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -0.7643 5.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -0.6885 4.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -1.9312 4.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -3.0787 4.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -4.3763 3.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -5.3717 3.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1558 -6.7223 2.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 -6.5399 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -7.0924 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 -7.9788 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -7.3267 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3547 -7.7927 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -9.0986 -2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -8.8968 -3.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -8.0414 -3.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -7.7818 -4.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -7.0532 -5.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 4.0735 3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 4.4867 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 3.9534 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 1.9283 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 1.9197 2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 2.0674 4.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 1.2134 4.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 0.1766 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 1.7588 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 2.6187 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 1.1026 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -1.3065 -0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 -0.9887 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3641 -0.4638 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -1.9389 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8966 -3.8516 -2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 -2.6264 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 -3.3650 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 -2.9953 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -2.4598 -4.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9017 -3.1628 -4.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 -0.8987 -5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 0.7065 -3.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 0.9265 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -0.8548 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 0.8224 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -0.9907 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 0.8991 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -0.8654 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 0.2690 2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3965 2.3410 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 3.2816 1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9049 -0.9639 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7392 0.5589 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 -0.1992 -2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 -0.3172 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3653 2.2211 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9085 2.1686 -2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9602 1.2747 -4.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 2.2858 -5.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 2.3449 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 2.8825 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 5.0203 -3.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 5.8934 -3.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 2.9367 -3.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 4.1698 -4.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 3.5857 -3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 5.1455 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 5.8473 -1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 5.9757 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 7.8290 -2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 9.3673 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 7.1590 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 8.9073 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 8.1077 2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 7.5998 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 9.9763 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 10.4238 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 9.8290 3.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 11.0148 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 9.3635 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 7.9895 2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 8.9023 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 1.7532 4.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 2.6859 3.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 -1.5936 5.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 -0.7812 6.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 0.1633 4.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 -0.5535 3.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -1.7363 3.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 -2.0930 5.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -2.7802 3.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5535 -3.2520 4.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.7152 4.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 -4.3136 2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 -5.5814 4.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 -5.0010 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -7.3966 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 -7.0139 3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -5.9063 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -6.9286 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -8.9236 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 -8.2970 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -6.3275 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1339 -7.1728 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -9.6236 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -9.6939 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -9.9006 -3.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -8.5377 -4.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 -8.5902 -2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -7.0697 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -7.0966 -4.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 -8.7065 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 -6.4616 -4.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 -6.3442 -6.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -7.7624 -6.1600 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 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 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END