HMDB0055438 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -6.6080 5.7214 -2.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3009 6.2687 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 7.0308 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 6.7784 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 5.5975 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 4.7406 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 4.4692 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 4.9852 2.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 3.8660 3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 3.7761 3.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 4.7500 3.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 5.3473 5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 5.3863 6.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 4.8692 6.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 3.8440 6.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 3.1368 7.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 3.1435 8.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 1.7959 8.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 0.9409 7.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 0.4126 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.4998 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 0.1836 4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 0.3776 4.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 0.6167 3.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 1.2334 2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 0.4840 1.0427 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2354 1.3015 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.7423 -1.3776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 1.4757 -2.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 2.5503 -2.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 1.2356 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 0.1554 -4.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 0.1139 -5.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -0.3029 -6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4995 -1.7119 -6.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -2.2781 -6.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -1.7764 -6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -2.5441 -5.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -2.0656 -4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -0.6339 -3.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -0.5016 -2.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -0.1332 -1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 0.1648 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 1.5716 -1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9546 1.9216 -0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 0.9869 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 1.1147 1.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 0.1823 1.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -1.1424 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 -2.0276 1.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 -1.5512 2.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 -3.0847 2.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 -3.5956 2.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 -5.0519 3.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3189 -5.7768 4.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -5.7433 3.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 -6.2392 2.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 -6.0937 1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4412 -6.6517 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -6.4767 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9909 -5.1080 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -4.0837 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 -3.9832 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -5.0448 -2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -5.0656 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -3.7728 -4.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -3.6087 -3.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -2.3245 -4.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -2.2404 -5.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 -0.9109 -6.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8832 -0.8779 -7.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5623 5.1586 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 5.1669 -2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7445 6.5829 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 5.5581 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1248 7.0652 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 7.9109 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 7.4275 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 4.9707 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9289 5.9906 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7979 4.3136 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 3.8327 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 5.7003 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 5.5766 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 3.1327 3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 2.9644 4.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 4.1064 3.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 5.5603 3.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 5.7840 5.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0272 5.9104 7.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 5.7593 6.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 4.6370 5.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2627 3.6319 6.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 2.4061 8.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 3.8354 7.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 3.4977 9.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 1.1871 9.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 1.9354 8.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 0.0267 7.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0647 1.4122 6.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 1.1544 6.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -0.2632 7.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 -1.3283 5.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -0.9301 5.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 1.5552 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1369 2.1670 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -0.4546 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 2.3548 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 1.4797 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 0.9718 -4.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 2.1895 -4.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 0.4214 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 -0.7913 -3.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 1.1520 -5.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -0.6025 -5.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.3432 -6.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -0.0414 -7.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4183 -2.3902 -6.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -3.4170 -6.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -2.0664 -7.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 -0.7020 -6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -3.6593 -5.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 -2.7863 -3.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -0.2711 -4.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 -0.0002 -4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -0.7467 -2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0821 -0.0563 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5156 -0.5141 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 0.1228 -2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 2.3383 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0071 2.9985 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7529 -0.0571 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 1.4138 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 1.1278 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 0.2807 2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 2.0376 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7006 -1.4026 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -1.0542 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 -3.4966 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -3.2453 3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -3.3195 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -3.0235 3.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2925 -5.1812 3.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 -5.5307 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -5.2634 5.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 -6.8210 4.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -4.8873 4.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -6.6324 4.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 -5.8394 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 -7.3506 2.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -6.7321 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -5.0778 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -7.7862 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 -6.4111 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -6.9738 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -7.1129 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -5.2046 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -4.7060 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 -3.0644 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1443 -2.9691 -2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -5.0078 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -6.0550 -2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -5.8716 -4.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -5.1589 -4.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 -2.8731 -4.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9341 -3.8980 -5.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -3.4908 -2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 -4.4728 -3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6731 -2.1965 -3.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0923 -1.4659 -3.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -2.4174 -6.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -3.0178 -5.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6509 -0.8176 -5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 -0.1123 -5.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 -0.1349 -7.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 -1.8771 -7.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -0.5898 -7.9495 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 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 2 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 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 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 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 70173 1 0 70174 1 0 71175 1 0 71176 1 0 71177 1 0 M END