HMDB0045174 RDKit 3D TG(18:0/20:3n6/18:3(9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 2.7138 -3.9431 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -2.7445 -3.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 -1.5160 -4.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 -0.4309 -4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 -0.3497 -3.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -0.0607 -3.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 -0.8378 -3.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9672 -2.1141 -2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 -2.0123 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -2.1606 -0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -2.4641 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5915 -1.3385 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -1.7164 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 -0.6500 2.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 0.6850 2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 0.6338 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 0.1752 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 0.1390 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 0.5246 -0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 -0.3207 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -0.3427 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -0.8864 -0.1836 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0387 -1.2714 -1.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -1.8067 -2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -2.2896 -3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 -2.3227 -4.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6835 -2.7735 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 -1.5328 -4.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 -0.7108 -5.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.5763 -5.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 1.4268 -6.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 2.7737 -6.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 3.5923 -7.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 4.9749 -8.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 5.3161 -7.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 5.2085 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 5.5385 -6.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 5.4274 -5.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 6.3715 -4.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 6.2366 -2.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 4.8518 -2.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 4.7873 -0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 5.8223 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0531 -0.2168 0.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2701 -0.6342 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 -1.7295 2.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0469 0.1886 3.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8478 -0.2229 4.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 -0.0868 4.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 -0.4109 6.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 -0.2728 6.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 -1.2643 5.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 -1.1267 6.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 -2.0528 6.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 -3.3709 7.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 -3.4660 8.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -4.4040 9.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 -5.4908 8.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 -6.8280 8.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -7.7132 8.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -7.4979 6.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -7.5579 6.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 -7.3490 4.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 -6.0273 4.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -5.9308 2.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 -3.6357 -5.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -4.7423 -4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -4.3540 -4.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -2.7359 -2.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 -2.9808 -3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -1.5436 -5.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 0.4284 -5.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 -1.1041 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 0.6235 -2.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 0.9006 -4.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 -0.4929 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -2.4300 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 -2.9234 -3.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -1.7870 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2211 -2.0495 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 -3.3748 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -2.6076 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -0.3650 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2749 -1.2996 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -2.6623 2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4758 -1.8593 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3957 -0.5831 3.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 -1.0035 3.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.3973 2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 1.1354 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 1.6219 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -0.0524 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -0.9153 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1682 0.7566 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 0.6039 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 -1.1065 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -1.8941 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 -1.9496 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -0.3729 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9034 -3.3182 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 -3.4044 -3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.8313 -4.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.9726 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5858 -0.5422 -5.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 -1.2200 -6.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 0.3189 -5.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 1.1362 -4.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 0.9163 -7.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2903 1.7326 -6.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 2.4283 -6.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6101 3.1996 -5.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 3.5947 -8.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 3.0429 -8.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9538 5.6894 -7.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 5.3358 -9.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 6.3454 -8.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 4.6187 -8.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 6.0075 -6.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 4.2938 -6.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 4.7429 -7.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 6.5338 -7.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 4.3712 -4.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 5.4915 -5.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 6.2278 -4.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 7.4202 -4.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 6.9552 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 6.5114 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 4.7357 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 4.0368 -2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 3.8024 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 4.9346 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 5.4632 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 5.8624 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 6.7845 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1501 0.1908 2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7629 1.2815 2.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4077 0.4503 5.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1405 -1.2642 4.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 -0.6907 4.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0965 0.9916 4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 -1.4258 6.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 0.3055 6.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 0.7690 6.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -0.5070 7.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2432 -2.2349 5.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 -0.8813 4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.1796 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 -1.8740 6.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2447 -4.1935 6.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 -3.4416 7.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 -2.6716 9.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -4.3717 10.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -5.4704 8.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 -5.3253 7.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -7.0296 9.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1194 -8.6700 8.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -8.4363 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7118 -6.6882 6.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 -6.8833 6.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -8.6105 6.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 -8.1747 4.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 -7.4442 4.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -5.8937 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 -5.2048 4.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -5.3158 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 -5.4424 2.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -6.9440 2.4404 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 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 22 44 1 0 44 45 1 0 45 46 2 0 45 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 53 54 2 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 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 1 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 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 65167 1 0 M END