HMDB0045278 RDKit 3D TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) 173172 0 0 0 0 0 0 0 0999 V2000 5.9869 3.8496 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9887 2.5277 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 2.2066 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3229 2.0835 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 0.9707 2.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9162 1.0011 3.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6277 1.1762 4.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2587 1.3746 5.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0919 0.3560 6.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2072 -0.5589 6.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -0.8516 5.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 -0.6538 6.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -1.6475 6.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 -3.0250 5.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -3.8296 5.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -3.4671 4.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -2.1582 4.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.9189 3.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -1.0041 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 0.0435 2.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -0.1014 2.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 0.0401 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 1.1385 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 -0.9865 -0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -0.7412 -1.5384 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7566 -0.5889 -1.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.4861 -1.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 0.9824 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 0.4807 -1.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 2.1168 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5624 2.7230 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 3.8329 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 4.5630 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7207 4.6142 1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5095 3.9614 3.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6318 3.0671 3.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 1.7852 3.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 1.1245 3.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 0.1190 2.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 -1.1526 2.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.8196 3.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -2.8010 4.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 -2.8215 5.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7139 -1.7952 6.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0488 -1.1351 6.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3545 -0.1465 7.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 1.0055 7.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0119 0.7407 7.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 -1.7455 -2.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7144 -1.4720 -3.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 -0.3610 -4.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 0.5608 -3.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 -0.1741 -5.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 1.2284 -6.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 1.5363 -7.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 1.2979 -8.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 2.1258 -7.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 1.8380 -7.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.3790 -7.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 0.2556 -8.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 -1.1665 -7.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -1.7486 -6.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -3.1652 -6.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -3.4104 -6.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8882 -2.6395 -6.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8994 -2.7756 -4.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2028 -4.0366 -3.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2969 -5.2129 -4.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7928 -6.3909 -3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 4.2255 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 4.5819 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 3.6370 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 1.7573 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3409 2.6284 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 3.0947 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4442 1.3363 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4183 3.0613 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3437 1.8310 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 0.0082 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9158 1.0680 2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 0.8603 3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4588 1.1830 5.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3159 2.3898 5.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 1.3692 4.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8562 0.4258 6.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 -1.2401 7.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -1.8138 4.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 -0.0775 4.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 0.3886 6.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1606 -1.3847 6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2988 -3.5634 7.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -3.2585 5.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 -4.9409 5.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -4.2881 4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.2939 5.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -1.3167 5.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -2.6627 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -0.9458 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 0.0308 3.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 1.0401 2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -1.1055 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 0.7348 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.2861 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 -0.2943 -2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 -1.5419 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4616 2.9311 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 1.8546 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 2.0266 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 3.2819 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8377 4.5943 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 3.4345 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 5.0907 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6718 5.1834 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 3.6428 3.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 4.8327 3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6345 3.5604 3.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4245 1.1393 3.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 0.6392 4.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 1.7292 3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4501 0.5078 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 -1.7905 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -2.4976 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 -1.2147 4.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0595 -3.6221 3.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5262 -3.5946 5.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -1.0424 5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5512 -2.3407 7.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8346 -1.9513 6.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1572 -0.6423 5.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3843 -0.6343 8.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3978 0.2936 6.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3864 1.5632 6.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8392 1.8237 7.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 1.4840 8.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 -0.2490 8.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 0.9966 6.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.7839 -2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -1.8508 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -0.3246 -6.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -0.8768 -6.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 1.4363 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 1.9414 -5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 2.5933 -7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 0.9233 -8.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 1.5587 -9.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 0.2179 -7.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 1.8162 -6.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 3.2002 -7.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.4397 -7.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 2.0790 -8.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -0.2903 -8.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.0693 -6.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 0.5312 -9.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 0.9654 -7.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -1.2085 -8.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 -1.7644 -8.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6172 -1.1061 -5.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -1.7023 -6.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 -3.5584 -5.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 -3.7554 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1646 -4.4511 -7.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 -2.9583 -7.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 -1.5480 -6.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9229 -2.9672 -6.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 -2.0070 -4.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 -2.4049 -4.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2837 -4.3684 -4.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2165 -3.8843 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -5.5742 -5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2647 -5.0357 -3.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 -7.3159 -3.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8828 -6.3749 -3.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -6.1995 -2.2873 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 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 1 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 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 1 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END