HMDB0052347 RDKit 3D TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -7.6963 -6.0909 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4579 -5.2474 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7197 -5.0124 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -5.3840 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6629 -6.1153 -1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -7.4208 -0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -7.8526 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -7.1333 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -8.0040 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 -7.7145 -3.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -6.5662 -4.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -5.8798 -4.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 -5.9800 -4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 -6.9029 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -5.9746 -2.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1429 -5.6145 -1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 -5.9156 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0152 -6.5677 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 -5.9737 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 -4.6041 2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -4.4397 3.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -3.0283 3.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 -2.3598 2.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 -2.2318 4.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.9864 4.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 -0.3844 4.8211 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1286 0.9732 5.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 1.5733 5.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 1.9898 5.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 1.8123 3.7523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 2.6282 5.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 4.0806 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 4.2119 3.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 5.6672 3.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 6.0064 1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 5.7024 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4863 6.2352 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 5.7973 2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 6.3427 2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 6.0059 1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 4.4911 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 3.8830 2.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 2.3420 2.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 1.8728 1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 1.0832 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 0.4792 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 0.9063 -1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4134 0.2412 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 0.3392 -2.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 1.7042 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 1.5486 -2.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5621 0.7885 -3.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1652 1.5244 -4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -1.1995 5.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -1.5043 4.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -1.1489 3.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -2.2658 5.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 -2.0981 4.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 -2.6696 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -2.5520 2.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 -1.8899 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 -1.0777 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2872 -1.3719 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3893 -0.4377 -1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5983 0.7977 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 0.9863 -2.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 2.0806 -2.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 3.3396 -2.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 4.5630 -2.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 4.8861 -2.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 4.0004 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 3.8570 -2.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 4.2938 -2.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 4.9635 -3.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 4.2054 -4.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0972 -5.8196 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4622 -5.9088 -2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4256 -7.1487 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8443 -4.2578 -2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -5.7352 -2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2072 -4.4885 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9758 -5.1892 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 -5.4606 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1527 -6.2437 -2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 -8.0441 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -8.8438 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -6.1606 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 -7.0264 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 -8.9834 -1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -8.5346 -3.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 -6.8961 -4.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -5.8011 -3.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 -5.0821 -5.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 -5.3672 -5.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 -7.6435 -3.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -7.2384 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 -5.6491 -3.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 -4.9213 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -5.1067 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -6.7369 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 -7.5827 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -6.5141 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 -4.0066 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 -4.0617 2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 -5.0850 3.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -4.8121 4.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -0.2748 4.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -0.8370 6.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -0.2399 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 1.0288 6.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 1.6316 4.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 2.0906 5.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 2.6473 6.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3142 4.5736 5.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 4.5392 5.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5121 3.5710 3.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 3.7923 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 6.3686 3.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 5.8027 3.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 7.1144 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8908 5.5585 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 6.1094 -0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 4.5819 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5724 7.3750 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 6.0071 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 6.0629 3.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 4.6820 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 7.4448 2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0804 6.0322 3.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2615 6.4494 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 6.3896 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 4.3934 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 4.0016 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 4.0989 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 4.3719 2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 2.1300 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 2.0300 3.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 2.2775 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 0.8155 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -0.6419 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 0.7574 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 2.0142 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 0.7916 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.8381 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 0.6451 -3.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -0.1490 -3.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -0.2915 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 2.4008 -3.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 2.1054 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4927 2.5394 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 0.9209 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 -0.2644 -3.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 0.8452 -3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 2.5199 -4.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0685 1.6800 -4.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 0.9350 -5.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -1.8047 6.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 -3.2987 5.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -2.4379 5.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6103 -0.9406 4.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -3.8484 3.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 -2.4596 3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 -3.1351 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 -1.9596 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0924 -1.2766 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.0273 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 -2.2583 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0545 -0.6361 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 0.6900 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1923 1.6021 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 0.0578 -2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 2.1044 -4.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8817 3.6262 -3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 3.2206 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 5.4723 -2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 5.9402 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 4.3884 -4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 2.9618 -3.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 3.3888 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 4.1648 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 5.2035 -4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 5.9504 -3.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 3.7838 -3.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 4.8870 -5.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 3.3551 -5.1163 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 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 2 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 26 54 1 0 54 55 1 0 55 56 2 0 55 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 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 2 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 6 27110 1 0 27111 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 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 53156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 73180 1 0 74181 1 0 74182 1 0 75183 1 0 75184 1 0 75185 1 0 M END