HMDB0044687 RDKit 3D TG(18:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -3.6374 3.1014 7.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 1.8684 8.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 1.7372 8.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3304 0.5440 9.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -0.7914 8.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 -1.0297 7.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -1.2618 6.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 -1.3228 6.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -0.2792 5.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 -0.5346 4.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0607 -1.8819 3.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 -2.1666 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -3.1789 2.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 -4.2174 3.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -4.3050 3.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 -5.3131 3.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -6.5783 2.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 -6.7048 1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -6.7780 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 -6.7587 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 -5.6206 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0488 -5.4591 -2.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -4.8830 -3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -5.8559 -2.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -5.8046 -3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 -4.5363 -3.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1297 -3.2861 -4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 -2.8844 -3.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -1.7440 -3.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 -0.9378 -3.9432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 -1.5274 -1.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -1.3829 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 -0.3344 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 1.0873 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 1.7705 -1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 3.2807 -1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 4.0051 -2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7258 3.6158 -2.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.8904 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0551 5.2564 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 6.2563 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 6.0077 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 7.1213 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 7.0803 2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 5.9286 2.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 5.7867 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 6.9974 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -4.7977 -5.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1415 -4.6850 -4.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 -4.3061 -3.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -5.0040 -6.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 -4.7198 -5.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 -3.2500 -5.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2385 -3.0618 -5.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5982 -3.6766 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0272 -3.0699 -2.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -1.7815 -2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 -0.5836 -3.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -0.0812 -3.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 0.2612 -2.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 0.7454 -3.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9295 1.1160 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 1.5920 -3.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 4.0438 8.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 3.0378 6.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7313 3.1363 7.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 2.0174 9.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7327 1.0154 7.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 1.7411 7.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 2.6990 8.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.6231 10.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 0.5451 9.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 -0.9717 8.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 -1.5501 9.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -1.0178 7.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 -1.4233 5.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6716 -2.3309 5.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.1970 7.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 0.7895 5.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.3381 3.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9791 -2.6743 4.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 -1.7923 3.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 -1.4663 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -3.2574 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 -4.0615 4.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 -5.2250 2.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -3.3898 3.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -5.1932 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 -6.5375 2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 -7.4463 3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4634 -6.7364 1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -6.8790 -0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 -6.8558 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -7.6884 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 -4.6489 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8919 -5.8219 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -6.6658 -3.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -6.0897 -4.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -4.3209 -3.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4463 -3.2986 -5.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8485 -2.4254 -4.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 -0.7840 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -2.5029 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 -1.3984 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -2.3841 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 -0.4344 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -0.5916 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 1.6118 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 1.4154 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 1.3986 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 1.5835 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 3.3501 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 3.6402 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1518 5.0768 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 3.6258 -3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8219 2.5339 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 4.1607 -3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 3.4181 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 3.2992 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7793 5.1948 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7701 5.6802 -1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6193 7.2506 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 6.6001 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 5.0027 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 6.0834 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 7.2011 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 8.0702 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 7.1374 3.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 8.0023 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 4.9631 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 6.1787 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 4.9292 1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 5.5383 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 7.8594 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1753 6.7152 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 7.2633 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 -6.0751 -6.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 -4.4402 -7.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0521 -5.1532 -6.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 -5.2355 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1025 -2.8170 -4.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -2.7251 -6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7481 -3.6753 -6.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 -2.0411 -5.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 -4.7809 -4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -3.5461 -3.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8986 -3.0267 -2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 -3.8411 -1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -1.5024 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.8999 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3915 -0.7122 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9923 0.2843 -2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 -0.6892 -4.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 0.9236 -4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 1.0688 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -0.6469 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 1.5895 -4.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -0.1007 -4.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.2670 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 1.9383 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 1.9198 -4.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 0.7132 -3.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 2.4157 -2.8415 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 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 1 27100 1 0 27101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END