HMDB0042389 RDKit 3D TG(14:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 159158 0 0 0 0 0 0 0 0999 V2000 3.2239 4.6338 9.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 4.4483 8.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 3.1282 7.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 2.9024 6.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 3.8016 5.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 5.2382 5.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 6.0833 4.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 5.7257 3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 6.4028 2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 5.7579 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 4.3005 1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8912 3.8729 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 3.2139 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 2.8515 -1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 1.5214 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 0.3738 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5857 0.2149 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 -0.5156 -2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8115 -1.6206 -2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1277 -2.2661 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 -3.6949 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 -3.9151 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 -5.0832 -0.5052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -3.0651 -1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8632 -3.3481 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -3.5746 0.0171 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1063 -3.6622 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 -4.7860 -0.3838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -6.0794 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -6.1695 0.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 -7.3021 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -7.3477 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7672 -6.9690 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -5.6183 -3.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 -4.5325 -3.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -3.2570 -3.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 -1.9896 -3.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -1.7978 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -2.6048 -3.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 -2.4075 -1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -3.1945 -1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2662 -2.9020 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3592 -3.6588 1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7411 -2.3355 0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -2.4058 1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 -3.5379 2.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.2380 2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2064 -0.9964 3.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -0.7231 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 0.5230 2.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 0.8037 2.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 2.0680 1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 2.3710 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5202 3.5970 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 3.7401 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 2.5873 -1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 2.3586 -3.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 3.5504 -3.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 3.6513 -5.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 3.5944 -5.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 2.3259 -5.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 2.4077 -6.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 2.6546 -7.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 5.5092 9.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 3.7110 9.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 4.8645 8.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 4.3670 8.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 5.3024 7.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 2.2475 8.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 1.7950 5.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 3.5254 4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6129 3.5425 4.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 5.6817 6.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 7.1561 4.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 4.6763 3.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 6.2514 3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 7.5233 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 6.3549 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4423 3.7542 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 3.9760 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 4.1210 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 2.9811 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 3.5546 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 3.2879 -2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 1.4072 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -0.5585 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -0.3579 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 1.1064 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -0.0481 -3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -2.0899 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -1.8093 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 -2.3563 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -4.1429 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -4.3162 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 -4.2803 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 -2.5299 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -4.3714 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 -2.7321 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 -3.5033 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 -8.0528 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 -7.8630 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 -6.8904 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -8.4541 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -7.7259 -3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -7.2699 -3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 -5.3212 -2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 -5.5555 -4.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 -4.7845 -3.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 -4.4435 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5729 -3.3554 -4.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 -3.0960 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -1.8075 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 -1.1163 -3.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -0.7061 -3.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 -1.8962 -5.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 -3.6187 -3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -2.0944 -3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -1.3144 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 -2.6908 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -4.2852 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2493 -2.9644 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3137 -1.8134 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 -3.3321 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3759 -3.3003 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -3.5316 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2203 -4.7342 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -1.3926 2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -0.3319 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -0.1888 4.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 -1.9728 4.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 -1.6053 2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 -0.5556 4.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 1.3806 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 0.3101 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 0.8849 3.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 -0.0771 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 1.9136 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 2.8819 1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 1.4734 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 2.5746 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 4.5230 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 4.7562 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 1.6531 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6203 2.8615 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 2.1864 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 1.4603 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 4.4753 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 3.6708 -3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2173 4.6343 -5.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 2.9049 -5.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 3.7214 -6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 4.4947 -5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 2.0237 -4.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 1.4619 -6.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 3.2832 -5.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 1.4722 -5.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 2.2325 -8.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 3.7320 -7.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 2.1131 -7.9015 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 2 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 1 0 29 30 2 0 29 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 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 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END