HMDB0047262 RDKit 3D TG(24:0/18:1(9Z)/18:3(9Z,12Z,15Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -3.0054 -3.1409 -8.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -1.8653 -7.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 -1.6864 -7.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8121 -1.6686 -6.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5706 -1.8258 -5.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3349 -3.0246 -4.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3056 -3.0222 -4.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7411 -1.8285 -3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5948 -1.6804 -1.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0462 -2.4732 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 -3.7611 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 -3.6941 -0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 -5.0659 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 -5.1759 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 -4.2808 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -4.4808 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -4.0895 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 -2.6251 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.9305 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 -2.0804 1.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.9130 2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 0.0922 1.6443 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1045 0.9715 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 1.7128 -0.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 2.7335 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 3.1114 -0.8775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 3.2541 -1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 4.1462 -2.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 4.2105 -3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 2.8035 -4.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 2.4932 -5.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 0.9644 -5.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 0.6220 -4.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 1.1476 -4.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 1.3620 -3.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 0.3738 -2.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 1.1465 -1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 0.5280 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 0.3219 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -0.2826 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 -0.3998 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 -0.9790 3.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3124 -2.3751 3.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 -3.3463 3.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 -3.4104 4.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -4.3576 4.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -4.5126 6.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 -3.2207 6.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -2.4869 5.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 -0.6780 1.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -0.5774 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 0.2134 2.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -1.4329 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 -0.6402 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 -0.0029 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3858 0.7805 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 1.8736 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0149 2.8140 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 3.9320 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 4.8464 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 5.1017 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 4.4616 2.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 5.5743 3.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 5.0451 4.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 4.2651 5.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 5.0494 6.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 6.2598 7.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 6.9203 7.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 8.1536 8.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -3.3986 -8.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -3.9617 -7.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 -3.0204 -8.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 -1.0244 -7.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 -1.9084 -6.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 -1.5550 -8.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -1.5276 -7.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -0.9208 -4.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5106 -2.0693 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 -3.9634 -5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8169 -4.0031 -3.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -0.8706 -3.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9071 -1.8187 -3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0255 -0.7204 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0852 -2.1089 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8553 -4.4974 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 -4.2056 -2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 -2.9860 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.4070 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -5.4131 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 -5.8012 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -6.1983 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -4.8976 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 -3.2616 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.7061 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.9044 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -5.5654 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -4.6662 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -4.4074 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 -1.0128 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.4072 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 0.7407 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 1.7546 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 0.5544 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 2.4438 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 3.9697 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 3.8233 -3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 5.1883 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 4.4864 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 4.8861 -4.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 2.8610 -5.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 2.0060 -3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 2.7599 -6.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 3.0518 -5.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 0.4540 -5.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 0.6133 -6.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 -0.4886 -4.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 1.0282 -3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 2.0269 -5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 0.3308 -5.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 1.6143 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 2.3932 -3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 0.1033 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -0.4903 -3.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 2.1455 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4757 1.4415 -2.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 1.1140 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 -0.4888 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 1.2335 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0598 -0.4522 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5949 0.4373 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 -1.2160 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -1.0292 2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 0.6120 3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3099 -0.9047 4.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7653 -0.3271 3.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 -2.7244 4.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7914 -2.4111 2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 -3.0719 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5232 -4.3578 3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 -3.7692 5.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -2.4045 5.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -5.3318 4.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -3.9519 4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -5.1427 5.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 -5.0493 6.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -2.5619 6.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -3.4732 7.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 -1.6127 5.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 -1.9940 6.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.0461 5.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 -2.2969 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -1.8799 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 -1.3482 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7503 0.0846 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 0.5670 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 -0.8340 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 0.0948 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8067 1.2698 -2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 1.5120 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 2.4546 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 3.2097 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 2.2289 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 3.4842 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 4.4641 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 5.3679 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 5.8192 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 4.0035 3.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 3.6624 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4087 6.0714 3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9283 6.2756 4.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 5.9204 5.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3108 4.4047 4.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 3.9641 6.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2294 3.3570 5.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 4.3730 7.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 5.3686 5.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 5.9408 8.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 6.9868 6.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 6.1759 8.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 7.1602 6.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 8.8418 8.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 7.9162 9.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 8.7325 8.2336 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 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 22 50 1 0 50 51 1 0 51 52 2 0 51 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 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 1 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 69183 1 0 M END