HMDB0045567 RDKit 3D TG(20:0/18:0/18:3(6Z,9Z,12Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -3.5011 0.7082 -9.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 0.5793 -8.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 -0.0562 -7.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 0.6407 -6.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 0.8434 -6.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 1.5205 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 1.0610 -4.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 -0.2625 -4.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.1150 -3.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -2.2570 -3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 -2.9224 -4.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -4.2604 -5.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 -5.4025 -4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -5.4019 -4.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1385 -6.1975 -3.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -6.0130 -2.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -6.3164 -1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 -5.8332 -1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -6.2337 -2.9385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -4.8416 -1.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -4.4927 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 -3.5688 -0.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8874 -4.2600 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 -4.5231 1.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 -5.1786 2.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -5.5552 3.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -5.4203 2.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 -4.4046 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -3.0186 2.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 -1.9416 1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -2.0937 1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6495 -0.8883 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 0.3751 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 0.4272 3.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 1.6348 3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 1.9054 5.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4863 0.9373 6.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 0.1775 6.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 0.8766 7.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 1.5039 6.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 0.4145 6.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 -0.5669 6.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -1.7280 6.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.3204 5.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -2.5409 4.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -2.2788 -0.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -1.1712 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 -1.4415 -1.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4556 0.2431 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.9374 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 2.4076 -2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 2.9495 -3.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8307 4.3632 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 5.4065 -3.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 6.7789 -3.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 7.0809 -3.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 7.4757 -1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 6.6490 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 7.2429 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 6.8778 1.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 5.5122 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 4.7530 1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 3.3702 2.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 2.5164 2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.1188 2.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 1.7868 -9.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 0.0575 -8.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 0.4034 -10.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -0.0564 -8.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 1.5951 -8.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1427 -1.1328 -7.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -0.2143 -6.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 1.6713 -5.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 0.1187 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 1.5800 -7.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 -0.0408 -6.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 2.5234 -5.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 1.6807 -3.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -0.0376 -5.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.6858 -5.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -0.7079 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 -2.7863 -2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -2.8864 -4.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 -2.3361 -5.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -4.3117 -5.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8141 -6.3221 -5.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 -4.3933 -4.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -5.8185 -5.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 -6.1592 -3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 -7.3281 -3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -6.6246 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -4.9531 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -7.4967 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2367 -6.4297 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -5.3994 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 -3.9925 -2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -3.4738 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -3.5179 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -5.1321 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 -6.4228 2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2794 -5.4506 3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 -4.6637 2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -4.5261 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 -2.9739 3.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 -2.7644 2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 -1.9323 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 -0.9696 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3802 -2.1654 2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -2.9814 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7241 -1.0354 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -0.8124 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8332 1.1972 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 0.5968 1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -0.4567 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 0.5427 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 1.6228 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6996 2.5378 3.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9278 2.9170 5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 2.2170 4.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2535 0.1675 5.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 1.4999 7.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 -0.4461 7.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 -0.6466 6.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 1.7851 8.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 0.3354 8.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 2.2935 6.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 1.9617 7.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -0.0805 5.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.8683 5.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 -0.9614 7.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 0.0163 7.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 -2.3519 5.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0116 -2.3513 7.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -0.7913 4.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 -0.6216 5.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -2.6385 5.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -2.4481 3.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 -3.4424 4.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 0.7536 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.4034 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.8575 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 0.4493 -3.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 2.9932 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 2.5613 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.7609 -3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 2.3195 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7261 4.5518 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 4.5679 -4.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 5.1768 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 5.3887 -3.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 6.9144 -4.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 7.5131 -2.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 6.2456 -3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 7.9555 -3.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 7.4821 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 8.5764 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 5.6294 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 6.7477 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 7.1312 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 8.3652 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 7.4255 2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 7.4403 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 4.9435 2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 5.5922 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 4.6847 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 5.2908 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9818 2.8950 1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 3.4966 3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 2.4277 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 2.9721 2.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 0.4685 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 1.1814 3.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 0.7894 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 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 22 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 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 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 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 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 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END