HMDB0042988 RDKit 3D TG(15:0/14:0/O-18:0) 153152 0 0 0 0 0 0 0 0999 V2000 -1.5440 6.3305 6.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 5.5941 5.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 4.2844 5.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 3.4809 6.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 2.1360 6.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 1.3737 5.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 0.0215 5.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -1.0063 6.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 -1.2431 6.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -1.6424 4.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -1.8946 4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 -0.7283 4.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0381 -0.9465 3.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9441 -1.1401 2.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2944 -1.3314 1.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0443 -1.4134 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1885 -2.5650 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8627 -2.4653 -1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2149 -1.2799 -1.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6806 -0.8521 -3.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -1.7289 -3.6988 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6152 -2.2558 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 -1.2525 -2.2962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -1.6872 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6465 -2.9367 -1.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -0.7936 -0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -0.6023 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 -1.9052 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -2.6651 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -3.9684 -1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -4.8477 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8176 -4.2456 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 -3.9675 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 -3.3869 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4112 -3.1097 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2857 -2.1465 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 -0.7894 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6744 0.1519 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 1.4854 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 -1.0837 -4.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.5941 -6.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 -2.6807 -6.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 -1.0639 -7.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -1.3832 -7.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 -0.8427 -6.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 0.6823 -6.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 1.2189 -5.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 2.7414 -5.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 3.3343 -5.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 3.0394 -3.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 3.6534 -3.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4326 3.3744 -1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 4.0338 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 3.8461 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 2.4143 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 6.1996 7.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 6.0017 7.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 7.4175 6.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 6.2050 4.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 5.3386 4.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 3.7689 4.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 4.4726 5.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 3.3028 6.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 4.0541 7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 1.6652 7.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 2.4164 7.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 1.3924 5.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.9776 4.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -0.3629 4.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 0.0994 5.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -1.9779 6.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -0.8803 7.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 -2.1103 6.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8536 -0.4028 6.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -2.5424 4.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -0.8317 3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 -2.7464 4.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -2.2500 3.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -0.4761 5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 0.1898 3.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4202 -1.8564 4.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7097 -0.1263 4.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4102 -2.1102 2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -0.2988 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9133 -0.4532 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8129 -2.2347 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 -1.5817 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 -0.4276 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2233 -2.6570 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 -3.5084 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -3.3162 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8008 -2.5883 -2.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 0.1354 -2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4638 -0.5555 -3.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 -2.6336 -4.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -2.9309 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 -2.9120 -3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -1.1075 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 0.1954 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1606 0.0612 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -0.2128 -2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -1.6425 -2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -2.5233 -2.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 -2.1561 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 -2.8669 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -4.5494 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -3.6373 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 -4.9955 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 -5.8538 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 -4.9314 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -3.3196 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -3.3776 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4345 -4.9682 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3893 -4.1643 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -2.5072 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -2.7195 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7711 -4.0777 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2885 -1.9804 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5678 -2.4862 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5105 -0.4139 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -0.9729 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9591 -0.2914 -2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 0.2545 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1354 1.7014 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 1.5226 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8752 2.2618 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8952 0.0488 -7.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -1.4569 -8.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 -0.8977 -8.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -2.4711 -7.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 -1.1175 -7.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3393 -1.2501 -5.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.0976 -7.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 1.0214 -6.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 0.8560 -6.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 0.8114 -4.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 3.1799 -5.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 3.0565 -7.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 4.4303 -5.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3717 2.9920 -5.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 1.9805 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 3.5281 -3.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 3.2583 -3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 4.7597 -3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.2734 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4967 3.7441 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 5.1395 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 3.6336 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 4.3209 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 4.3905 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 1.9017 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 2.4015 2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 1.8722 0.5728 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 21 40 1 0 40 41 1 0 41 42 2 0 41 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 20 93 1 0 20 94 1 0 21 95 1 6 22 96 1 0 22 97 1 0 26 98 1 0 26 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 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 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 55153 1 0 M END