HMDB0055197 RDKit 3D TG(18:3(9Z,12Z,15Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) 147146 0 0 0 0 0 0 0 0999 V2000 8.4620 0.3921 5.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 1.5784 5.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 2.0596 4.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 2.0587 4.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6937 1.5887 5.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 2.6551 6.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 2.5497 6.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 1.3797 5.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 0.8038 6.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 0.6714 6.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 1.1156 5.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.1132 5.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 0.2707 4.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 1.2386 4.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 1.5915 3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 2.2865 2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 2.6456 1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 3.3555 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 3.9559 0.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 3.3987 -1.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 4.1253 -1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 4.0571 -3.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 4.8962 -3.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 4.4570 -2.7243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9177 4.9175 -2.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 5.8319 -3.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 4.3683 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 3.1001 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 2.0790 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.7056 -2.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 0.1575 -1.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 0.0470 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -0.5260 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -1.8798 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 -2.2906 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -1.3924 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8242 -1.4255 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -2.1808 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2298 -3.3219 -2.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -3.2377 -3.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -3.3301 -4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -3.5616 -3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -2.4178 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 2.7223 -3.6025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 2.0888 -4.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3889 2.7803 -4.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 0.7094 -4.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 -0.3085 -3.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4632 -0.4042 -3.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -1.4665 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 -1.2088 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 -2.2696 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 -3.6452 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 -3.6204 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -4.3906 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -5.3936 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -6.7595 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 -7.2376 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -6.4796 -2.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 0.4161 3.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 -0.5679 5.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4610 0.4392 5.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 2.4293 5.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1259 1.4623 6.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2658 2.4384 3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 2.4312 3.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 1.2161 6.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 0.7131 5.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 3.5593 6.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 3.4200 6.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 0.6048 5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 1.8135 4.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 0.4538 7.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 0.2137 7.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 1.7726 6.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 1.6156 5.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 -0.5184 6.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.8101 4.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 -0.6911 3.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 0.6137 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 2.1697 5.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5787 0.7740 5.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6081 2.2473 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1388 0.6349 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 3.2514 2.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0686 1.7264 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 1.6918 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5461 3.3057 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 5.1890 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 3.8126 -1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 4.4872 -3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 5.9571 -3.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 4.7837 -4.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 5.1393 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5591 4.2739 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 3.2796 -3.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 2.8062 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 2.4134 -3.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 2.0307 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.7779 -3.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 0.0388 -2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 -0.8250 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 0.8148 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.0047 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -0.6554 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 -0.4994 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 0.2000 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -2.6827 0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 -3.3999 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 -0.3269 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -1.5474 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 -0.6082 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8697 -1.9306 -2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -3.5569 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -4.2707 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 -3.0590 -4.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 -3.2244 -5.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -4.5238 -3.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 -3.4610 -2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 -2.2807 -3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -2.7602 -5.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -1.5320 -4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 0.6811 -5.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 0.4274 -5.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -0.2397 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 -1.3108 -4.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 0.5963 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 -0.6774 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4095 -1.4546 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -2.4234 -2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6096 -0.2238 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 -1.1336 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -2.0494 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3474 -2.3787 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 -3.8577 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -4.3314 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -2.9210 -1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 -4.2864 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 -5.4957 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -5.0800 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 -6.7739 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4374 -7.4464 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -8.3110 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 -7.3299 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -5.9512 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 -5.8195 -2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -7.2095 -3.3980 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 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 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M END