HMDB0052781 RDKit 3D TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -0.6082 0.7330 1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 1.2467 0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 0.8776 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 0.0967 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.4868 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 0.0003 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 -0.6941 -2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -2.0930 -2.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 -3.0880 -1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -3.8284 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -3.7678 -4.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 -3.3260 -4.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 -2.2694 -5.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 -1.4439 -5.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2822 0.0033 -5.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 0.8301 -6.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 2.2566 -5.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 2.3024 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 3.5351 -3.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 3.7613 -3.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 3.5143 -3.9453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 4.2198 -1.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 4.4206 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 4.8536 0.0874 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5267 6.2772 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 6.4770 -0.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 5.9202 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 5.0715 0.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 6.3420 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 7.2528 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 6.5829 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 5.4207 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 4.7106 1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 3.6368 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 2.8143 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 2.1106 2.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 0.8222 2.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 -0.0793 2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 -0.9739 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 -1.0165 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 -0.2099 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7739 -1.0799 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6847 -0.2605 -2.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5864 -1.2419 -3.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4315 -2.0375 -2.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3136 4.8591 0.6796 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5679 3.9882 1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 3.2632 2.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 3.8911 2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 2.6742 3.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 1.4352 2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 0.1489 3.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7654 -0.1053 4.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -0.2188 3.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5338 -1.3287 2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 -2.3120 2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 -2.5250 3.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 -3.8132 4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6426 -4.7233 3.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 -4.4821 2.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6939 -5.6009 1.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -6.4238 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 -6.3444 2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -7.6371 2.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -8.4944 2.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -8.2769 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1654 -8.2219 2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 1.5524 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2185 -0.0246 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 0.1774 2.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 0.9389 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 2.3851 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 1.2757 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -0.1821 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -0.2792 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 -1.5706 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4152 1.1287 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 -0.0357 -2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 -2.2050 -3.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -2.4269 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -3.3344 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 -4.5572 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 -4.8749 -4.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -3.3630 -4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -3.9011 -4.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2248 -2.0238 -5.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -1.5119 -7.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2972 -1.9077 -5.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 0.4407 -5.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 0.0411 -4.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 0.8950 -7.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 0.4248 -6.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 2.8918 -6.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 2.5545 -5.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 2.1322 -4.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 1.4638 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 3.4460 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 4.3804 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 3.5309 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5401 5.2328 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 4.2015 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 6.6079 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 6.9351 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 6.9576 -2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 5.4930 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 8.1064 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 7.7143 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 7.3114 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 6.2693 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2415 5.7683 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 4.7048 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 4.2529 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 5.4262 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7714 4.1166 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 2.9987 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4528 3.5714 2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 2.2724 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 2.7355 3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 0.3882 3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 -0.7739 2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 0.3221 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 -1.6349 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -1.7255 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 0.2807 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 0.6424 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4307 -1.5590 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2484 -1.7870 -2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3322 0.4366 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1247 0.2770 -3.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0015 -1.9035 -4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2886 -0.6521 -4.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5065 -2.0727 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4292 -1.6595 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0315 -3.0716 -2.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9598 4.8266 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 3.9434 1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 2.7410 4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 2.7173 3.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8569 1.4572 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 1.4815 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 -0.6900 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 0.1328 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6023 0.6175 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 -1.1010 4.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 -0.3218 4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3563 0.7141 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -1.3482 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -3.1173 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -2.1984 2.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -1.7806 4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -4.0009 4.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 -5.6925 4.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -4.3287 3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 -3.5774 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 -5.7113 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 -7.2488 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 -5.4929 2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -6.3253 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 -7.8727 3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -9.4127 3.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 -9.2701 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6032 -7.5261 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3038 -7.1848 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2294 -8.8894 3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9305 -8.4690 1.5491 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 1 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 1 0 27 28 2 0 27 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 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 2 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END