HMDB0046145 RDKit 3D TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -4.0483 -1.5416 -3.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 -0.2661 -4.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8743 -0.0380 -4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 1.0128 -3.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 2.1581 -3.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9716 3.3707 -3.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1704 4.0952 -4.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 3.8378 -4.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 3.6286 -6.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7755 4.4495 -6.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 5.6417 -6.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 5.6686 -6.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 5.7651 -5.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 5.8584 -4.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 4.7472 -3.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 4.8963 -3.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 3.9829 -2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 2.5356 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 2.2154 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 0.7397 -4.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 -0.0464 -4.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.2415 -5.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -1.1036 -5.2986 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3828 -1.3851 -6.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -2.6623 -7.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -3.8532 -6.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -3.7885 -6.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 -5.1413 -7.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 -5.8795 -6.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -5.0526 -6.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 -4.7100 -5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -5.1008 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -5.8217 -3.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6002 -5.4373 -1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -4.2386 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 -4.5380 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -4.0051 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -3.0874 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -3.7175 1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1733 -3.1385 2.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 -1.7871 3.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9654 -0.9181 3.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -0.2908 4.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9322 -0.3437 5.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0553 -0.9143 6.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5975 -0.9848 7.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7007 -1.5366 8.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 -1.6033 10.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 -1.6847 -4.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 -1.5604 -3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 -2.0355 -2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -2.6573 -2.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 -1.7853 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 -0.7622 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 -1.0564 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 0.1310 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5172 -0.1068 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3231 1.0636 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7733 1.4204 1.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 2.5011 2.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7869 2.8303 3.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 3.4504 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 3.7734 4.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 2.5146 5.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 2.8159 6.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 1.4712 7.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.5867 8.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6945 0.2226 9.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -0.6147 7.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -1.9856 8.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -2.8491 7.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 -2.2226 -4.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -1.2709 -2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9368 -2.0866 -3.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 0.5493 -4.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 -0.4569 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5729 -0.8278 -4.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4848 1.0629 -3.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5234 1.9198 -3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9525 2.2511 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0301 3.6570 -3.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5801 5.0052 -5.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 2.8721 -4.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1385 4.6628 -4.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 2.7452 -6.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6445 4.2544 -7.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 5.9869 -5.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 6.4869 -7.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 5.5962 -7.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 5.7838 -5.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 6.8311 -3.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 5.9832 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 3.8122 -3.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 4.9154 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 4.8252 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 5.9403 -3.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 4.1245 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 4.2928 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 2.0513 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8835 2.0276 -2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 2.8045 -5.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 2.5036 -4.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 -1.6736 -5.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -0.6559 -7.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -1.1221 -7.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -4.9284 -8.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -5.8258 -7.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 -6.7922 -7.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -6.2232 -5.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -4.7055 -7.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -4.0837 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -5.8877 -3.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4565 -4.3067 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -6.7214 -3.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -6.0080 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 -3.3568 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 -3.9207 -1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -5.2343 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -4.2116 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -2.1109 1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8882 -3.0640 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 -4.7228 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 -3.6685 3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 -1.3223 2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -1.9417 4.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4468 -0.8116 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3693 0.3429 3.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 -0.8879 5.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8475 0.7354 5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2878 -1.9044 5.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9301 -0.2529 6.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4514 0.0791 8.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6636 -1.5262 7.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6039 -0.8670 8.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0456 -2.5068 8.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 -1.3184 10.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4953 -0.8080 10.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8758 -2.5770 10.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5521 -2.7901 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 -1.2538 -4.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 -1.4595 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 -2.7678 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -0.5800 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 0.1932 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 -1.1378 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -2.0109 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 1.0330 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 0.1867 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 -0.4238 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7302 -1.0073 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 1.9161 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 0.6819 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.7109 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 0.4972 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 2.2676 2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 3.4223 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 3.4658 4.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 1.8860 4.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7075 4.4688 3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 2.9633 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 4.2392 4.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 4.4363 5.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 1.8529 4.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 2.0751 5.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 3.5131 7.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 3.2480 6.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 0.8840 6.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 1.0038 7.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 2.1947 9.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 2.1280 8.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 -0.3078 9.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 0.2874 9.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 -0.1282 7.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -0.7963 7.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -2.4130 8.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -1.7661 9.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -3.2739 7.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -2.1815 6.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -3.6224 7.2000 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 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 23 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 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 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 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 1 24104 1 0 24105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 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 48136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 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 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 71179 1 0 M END