HMDB0052810 RDKit 3D TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 4.9095 1.8263 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 1.0913 -3.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8702 1.9551 -4.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 1.6364 -5.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 0.3271 -6.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5441 -0.3771 -7.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 -0.7679 -8.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -0.6001 -8.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 0.1283 -8.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -0.3962 -7.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -1.8462 -7.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 -2.4019 -6.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.8493 -5.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 -2.8742 -6.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -4.2879 -6.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 -4.6242 -6.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6487 -3.6712 -5.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 -4.0352 -3.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 -5.3414 -3.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 -5.9577 -2.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2567 -5.2534 -1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -4.0482 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 -3.6907 -1.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3649 -3.1943 -0.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -2.0079 0.5357 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8092 -2.1096 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -0.9732 2.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 -0.9224 4.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5442 -1.9056 4.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5733 0.3068 4.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 0.3187 6.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -0.6967 6.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -0.8005 6.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 -1.1242 5.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -0.4317 4.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 0.8387 4.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 0.7825 4.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7844 0.9612 5.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 1.2401 7.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 2.4340 7.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 3.4893 7.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 3.7699 5.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 3.9773 5.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8361 5.0831 5.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 6.2598 4.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2851 6.6703 3.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5553 -0.8594 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0906 0.3443 0.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5635 1.5579 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4025 1.5918 -0.9641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9848 2.7643 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 3.9694 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6627 5.2174 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1551 4.9823 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 4.7774 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 4.4245 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 3.0641 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 2.0185 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 0.9081 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 0.5751 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 -0.7020 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 -1.8036 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -2.0051 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 -2.4515 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1676 -2.6918 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4563 -3.1403 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9359 -2.0730 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 1.1282 -1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 2.7708 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.9904 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 0.1213 -3.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 1.0477 -2.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3481 2.9581 -4.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 2.3782 -6.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 0.4636 -6.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 -0.3579 -5.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6173 -0.5877 -6.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -1.2944 -8.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 -1.5851 -9.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -0.0470 -9.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 1.2237 -7.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 0.2530 -7.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.8156 -8.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -2.4387 -8.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -2.4422 -5.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -3.2653 -4.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 -2.1907 -6.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -2.5523 -7.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -5.0176 -7.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 -5.6718 -6.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 -3.9132 -5.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5597 -2.6230 -5.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -3.9757 -3.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 -3.2015 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 -6.0815 -4.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4057 -5.2733 -4.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9054 -7.0130 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -6.1419 -2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3296 -5.0094 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4141 -5.9177 -0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 -1.9624 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 -2.3398 2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 -2.9960 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 0.6552 4.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3451 1.1276 4.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 0.2960 6.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 1.3429 6.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -0.5471 7.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -1.7000 6.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 0.1389 6.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 -1.6344 7.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -2.0728 4.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 -0.7926 3.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 1.5619 3.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0925 1.3378 5.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 0.5713 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8615 0.8458 5.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 1.0417 7.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.3422 7.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 2.4241 8.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6442 4.3209 7.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 3.0725 5.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 4.7748 5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 3.1420 6.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9647 5.1568 5.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 6.3240 5.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5613 7.1720 5.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 6.7192 3.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 7.7367 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 6.0206 2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3307 -0.8276 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -1.0348 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5298 2.9088 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 2.5787 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0139 3.9183 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 4.1280 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8671 6.0502 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 5.4468 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 4.2245 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 5.9528 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 5.7815 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0445 4.0953 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5137 4.3723 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 5.1632 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 2.9637 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 3.1837 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 2.1732 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 0.1323 -1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 0.3481 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 1.2837 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 -0.6372 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 -2.6966 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -1.1540 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -2.8746 -1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 -3.4391 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5069 -1.7568 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 -1.7993 -2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -3.5370 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2162 -3.2640 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -4.1222 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8241 -1.0969 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -2.0668 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0387 -2.1985 -0.0777 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 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 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 2 0 44 45 1 0 45 46 1 0 25 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 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 6 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 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