HMDB0044500 RDKit 3D TG(16:0/18:3(9Z,12Z,15Z)/O-18:0) 162161 0 0 0 0 0 0 0 0999 V2000 8.3962 0.0530 -4.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 1.3548 -4.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 1.1381 -4.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 1.3731 -4.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 1.9037 -2.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 3.1812 -2.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 3.4634 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 2.5246 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 3.1310 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 3.3737 1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 3.0603 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 2.1538 1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3543 0.8303 1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 -0.0064 2.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.3184 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -2.4084 2.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 -3.0773 1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -2.3339 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 -1.1487 -0.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 -3.0515 -1.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -2.2858 -2.1796 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5179 -2.5306 -2.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 -2.4782 -1.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7553 -2.4983 -2.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0085 -2.6478 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2753 -2.4501 -2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7179 -1.0503 -2.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6973 -0.1389 -3.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2515 1.2499 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2124 2.2164 -4.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 2.7081 -3.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 1.7885 -2.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 2.5469 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 3.3178 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 3.9797 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 4.7104 1.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0571 5.3082 2.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8694 6.0432 3.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 6.6006 4.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 7.5899 4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 8.7780 3.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -2.6399 -3.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 -2.2853 -2.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 -2.5022 -3.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -3.0800 -4.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 -2.1129 -2.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.7733 -3.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 -2.4191 -2.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 -2.7228 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -4.1547 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 -4.3498 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -5.7786 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 -6.0404 2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 -5.2167 3.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -5.5616 4.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 -5.0086 5.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 -3.5731 6.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.6664 5.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -1.2269 5.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 -0.2610 4.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 0.1259 -3.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6522 -0.2610 -5.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 -0.7688 -3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 1.9898 -5.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 1.7939 -3.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 0.7454 -5.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 1.1830 -4.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 2.0422 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 1.1015 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 3.9851 -3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 4.4521 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 2.0800 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 1.6501 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 3.3670 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 3.8269 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 4.0522 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 2.6432 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 2.0270 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 2.7138 2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 0.9961 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 0.2988 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6172 0.0557 1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 0.5939 3.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -1.1213 3.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -1.7922 3.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -3.2699 2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -2.1996 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 -4.0472 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 -3.4826 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -1.2222 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 -1.7522 -3.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 -3.5031 -3.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7729 -1.8024 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5684 -3.5172 -3.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9813 -2.0577 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0374 -3.7200 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1250 -3.0499 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1514 -2.9949 -3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2011 -0.6156 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5969 -1.1141 -3.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -0.5710 -4.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8201 -0.1298 -2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8109 1.6221 -2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0319 1.1808 -4.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6656 3.1298 -4.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6053 1.7758 -4.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7096 3.4205 -2.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 3.4306 -3.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8022 1.0293 -2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.2600 -1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 1.8014 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 3.2077 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7473 2.6324 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 4.1507 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5395 3.2216 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5231 4.6689 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 3.9774 2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6252 5.4935 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 5.9783 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5048 4.4594 3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4869 6.8238 3.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5324 5.3083 4.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 5.7851 5.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 7.1233 5.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 7.1230 3.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3836 7.9726 5.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 8.6468 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 8.9132 4.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 9.7318 3.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -1.9381 -4.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -3.6555 -3.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -1.0088 -2.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -2.3697 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -3.8685 -3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -2.4165 -4.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2715 -1.3194 -3.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -2.9009 -3.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -2.0575 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -2.3460 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1455 -4.4878 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 -4.7927 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -3.6470 1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -4.0863 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9884 -6.4616 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 -6.0449 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7527 -5.8602 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 -7.1000 2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 -4.1564 2.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 -5.4540 3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 -5.4015 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 -6.7100 4.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 -5.5132 6.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -5.4434 5.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 -3.4424 7.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 -3.1067 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0007 -2.6269 4.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -2.8635 5.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 -0.9738 5.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6045 -1.2655 6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 -0.6655 3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 -0.1224 5.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 0.7331 4.8385 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 1 0 26 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 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 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 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 60162 1 0 M END