HMDB0050671 RDKit 3D TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -1.0918 -8.9147 -6.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -8.1197 -5.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -7.2316 -4.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -6.3751 -3.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -5.4481 -3.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -4.3076 -3.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 -3.6911 -4.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 -3.9495 -5.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -2.7067 -6.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6603 -2.4921 -5.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -3.3498 -5.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 -2.5732 -4.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -2.9938 -2.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -4.3310 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -4.9002 -1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -5.1841 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -4.9993 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 -3.9943 1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 -3.7021 2.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -2.6351 3.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 -2.2219 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8887 -1.7210 4.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -2.5613 5.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 -0.4072 4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -0.1841 4.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 1.1455 4.4960 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0118 1.1136 4.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 0.1637 4.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 -0.0734 4.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 0.6682 5.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9221 -1.0098 3.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4666 -1.6355 2.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1557 -2.3454 2.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -3.1234 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -2.4119 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -1.2487 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -1.4493 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -0.1616 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 -0.1623 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 -0.3465 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 0.5415 1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3455 1.8005 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 1.9231 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 1.8834 2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9323 2.0007 2.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 1.9727 3.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 0.7396 4.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 0.7931 5.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -0.4810 6.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 1.6220 3.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 2.8998 2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 3.6021 4.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 3.5721 1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 4.7032 1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 4.1363 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5363 3.2051 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 3.3152 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5386 4.3524 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8097 5.2795 -1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 5.4447 -2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 4.6360 -2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 3.8430 -4.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 4.0153 -5.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 4.9738 -5.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 4.3885 -6.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 4.5217 -5.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 5.3320 -4.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 4.5074 -3.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 3.9193 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 3.1143 -2.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 2.4866 -3.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -9.9771 -6.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 -8.6639 -6.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -8.7052 -7.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 -7.5648 -5.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 -8.7922 -4.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -7.8921 -4.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -6.6206 -5.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 -5.9946 -3.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 -7.1683 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -6.1302 -2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 -5.1761 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7657 -3.8338 -3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -2.7946 -5.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 -4.2150 -6.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -4.7682 -5.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -1.9012 -6.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -1.4508 -6.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -4.3094 -4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -3.4383 -5.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.5330 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 -2.2997 -2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -4.1437 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 -5.0278 -3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -5.0643 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 -5.6016 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -4.6709 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 -5.9843 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -3.0759 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -4.3727 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -3.4741 2.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -4.6251 3.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 -3.1418 3.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 -1.8321 2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -1.4957 5.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 -3.1002 5.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 -0.9511 4.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 -0.4386 5.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 1.9206 5.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 0.8804 5.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 2.1064 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1523 -1.8074 4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9665 -0.5567 3.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 -0.8062 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 -2.3084 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -1.6460 2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3124 -3.1196 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -3.9645 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 -3.6788 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 -3.2043 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8531 -2.1335 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -0.8114 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 -0.3968 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -2.2992 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 -1.6790 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 0.6296 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.0756 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 0.7040 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -1.1205 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 -1.2591 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.3878 2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 2.6036 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 2.1327 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 1.0353 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1758 2.8133 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 2.6767 3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.9065 2.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1932 2.9498 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3934 1.1564 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1196 2.8686 4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 2.0584 3.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 0.6262 4.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4808 -0.1915 4.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 0.8320 5.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.6646 6.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 -0.3956 7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -0.7558 7.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 -1.3018 5.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 4.0820 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.8921 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6837 5.1967 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 5.4168 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 5.0006 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2673 3.6790 2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 2.3209 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6252 2.4736 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5491 3.7628 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 4.8928 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6778 5.9961 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6451 6.2529 -3.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 5.4346 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 4.1267 -2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2411 3.0597 -3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 3.3404 -6.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 5.6012 -6.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 5.7246 -4.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 3.7486 -6.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 4.0098 -6.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9422 5.8444 -3.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 6.1513 -4.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 5.2026 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 3.7338 -2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 3.3666 -4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 4.7823 -4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 3.7183 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 2.2558 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 3.3113 -3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 1.7100 -2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 2.1334 -4.2234 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 1 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 2 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 47 48 1 0 48 49 1 0 26 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 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 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 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 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 1 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 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 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 49148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 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