HMDB0052865 RDKit 3D TG(18:3(6Z,9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -6.6264 7.5511 -7.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4149 6.7390 -7.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 5.6388 -6.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8906 6.0686 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6951 7.0041 -5.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 6.3716 -5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 6.1325 -5.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 6.4889 -3.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 7.4215 -3.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 7.1455 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0053 5.8665 -1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 5.2299 -2.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 4.9516 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 5.2327 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 3.9839 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 3.4345 1.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1297 3.9403 1.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 4.2395 3.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0677 3.5893 3.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 2.5450 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 2.9061 3.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 1.6907 2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 0.7503 3.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 1.5818 1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1346 0.3813 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 0.4814 -0.3428 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2417 -0.8573 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 -1.8235 -1.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -2.7245 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 -2.7871 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 -3.6447 -2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -4.4043 -2.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -5.3964 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -6.1070 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 -7.1227 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -7.1506 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -6.1368 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7815 -5.4831 1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 -5.3939 2.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -5.9355 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 -6.8914 3.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2963 -6.6097 4.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 -5.3895 4.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -5.3884 4.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -5.7819 5.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5746 -7.0807 6.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -7.4701 7.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6586 0.8852 -1.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 1.9306 -2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 2.6956 -2.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4331 2.1077 -2.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 1.5565 -2.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 1.7857 -3.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 1.3787 -2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 0.0126 -2.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1498 -0.8945 -1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -0.3675 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -1.5508 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.1259 2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 -2.1700 3.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -2.9611 3.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -2.1668 3.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 -3.1156 3.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 -2.3688 3.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1215 7.1652 -6.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 8.6359 -7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4173 7.5027 -8.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6388 6.2452 -8.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5273 7.3714 -7.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0595 4.9726 -6.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 4.9752 -7.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 6.6088 -4.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 5.2121 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8999 7.9715 -5.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6471 7.2526 -4.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 6.0617 -6.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 5.6599 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 5.5534 -3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1769 7.0892 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 8.3667 -3.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 7.8768 -2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 6.0231 -0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 5.1133 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 4.9731 -3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 4.4906 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1466 5.8595 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 5.8673 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 3.5173 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 2.5078 2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 3.1451 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 4.8517 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 5.0135 3.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 3.8865 4.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 2.1180 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8322 1.6715 4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 3.7720 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 3.0191 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.4047 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0099 0.2076 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 1.2485 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0362 -1.0976 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9412 -0.5183 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -3.0707 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 -4.3852 -2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -4.8748 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -3.6269 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -4.9304 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 -6.1521 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -5.2975 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 -6.6203 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -7.9332 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -7.9250 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -5.4484 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -6.7872 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -5.0283 2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -4.8721 3.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -5.1805 2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 -6.5747 1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7735 -7.8087 3.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3646 -7.3875 5.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5796 -4.5238 4.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 -4.9541 5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -4.2945 4.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -5.8803 3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4356 -4.9770 6.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 -5.5590 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5374 -7.1489 6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7432 -7.9364 5.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 -6.6663 7.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8729 -7.7206 8.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9487 -8.4064 6.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 1.5419 -3.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 3.1593 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 2.2229 -1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 0.5441 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 1.3742 -4.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 2.9061 -3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 1.8241 -3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 1.9694 -1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0495 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -0.5662 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 -1.1739 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -1.8616 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -0.0105 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 0.3997 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 -1.7639 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3642 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -0.2140 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -0.7290 2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 -1.6631 4.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 -2.8743 3.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.5347 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -3.7334 4.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 -1.4279 2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 -1.6585 4.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 -3.7395 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 -3.8327 4.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 -3.0587 4.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -1.8310 2.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3668 -1.6085 4.5957 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 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 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 1 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 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 64160 1 0 M END