HMDB0045121 RDKit 3D TG(18:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -6.8633 -3.0543 6.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 -3.6302 5.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0047 -3.0328 4.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8898 -3.6864 3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7921 -5.1782 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9118 -5.6609 2.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9013 -6.2873 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 -6.6917 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 -6.5282 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4997 -5.7384 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7252 -4.8603 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -3.4630 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6188 -2.6342 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 -2.9497 -1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 -2.0066 -2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -0.5943 -2.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.4259 -3.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 0.3183 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 1.3198 -5.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6324 -0.6936 -4.5245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -0.5988 -5.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 0.5156 -5.1963 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2473 0.6871 -6.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.6079 -6.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 2.9527 -6.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 3.4103 -5.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 3.8110 -6.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 5.1960 -5.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 5.3001 -4.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 4.7597 -3.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 4.8761 -1.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 4.2027 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 4.2781 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 5.6292 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 6.5599 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 5.9829 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 6.8808 1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 6.3342 1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 5.3509 1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 4.0859 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 4.0658 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 4.7906 -1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 4.7368 -2.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 0.1234 -3.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 0.7848 -2.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 1.7593 -2.9006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 0.5396 -1.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 -0.4210 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 -0.0748 -2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6508 -1.2227 -1.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -1.0791 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 -1.9911 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -3.3301 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -3.5402 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -4.5096 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -5.4995 2.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 -5.3534 3.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -5.0503 4.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 -4.8098 3.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 -3.4186 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 -3.1076 5.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -1.6785 5.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0649 -1.2271 6.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0287 -2.8890 5.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5374 -3.7566 7.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1809 -2.0849 7.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0325 -4.7096 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9608 -3.2735 6.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 -1.9164 4.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 -3.1054 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0126 -5.6057 4.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7959 -5.4940 3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9195 -5.4366 3.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9001 -6.5509 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9047 -7.8527 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -6.3141 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -7.1456 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -5.7054 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -5.1398 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7543 -4.9085 -0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2185 -3.1384 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5798 -1.6402 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -2.7616 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 -3.9543 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -2.2714 -3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 -2.1602 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -0.3795 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -0.5182 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 1.4337 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5805 0.3538 -3.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.5359 -5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 -0.3170 -6.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2565 1.4068 -5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 0.9141 -7.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -0.3174 -6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2243 3.3361 -5.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 3.8711 -7.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 5.7685 -5.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 5.7134 -6.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 4.7421 -3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 6.3581 -3.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 3.6599 -3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 5.1967 -3.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 4.4240 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 5.9573 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 3.1256 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 4.6292 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 3.6987 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 3.7354 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1887 6.1244 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 5.5081 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 6.7227 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 7.5408 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 4.9624 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 6.0431 2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 7.8919 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 7.1381 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 5.9672 3.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 7.2539 2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 5.9761 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 5.1040 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 3.3578 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 3.5295 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 2.9618 -0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 4.3507 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 5.8161 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 4.2352 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 4.4568 -2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 5.7588 -3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 4.0782 -3.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 0.0712 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 1.5184 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 -0.5351 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -1.4093 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 0.8903 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -0.0560 -3.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 -2.1431 -2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -0.9004 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 -0.1082 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -1.7463 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -3.4424 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 -4.1251 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -2.8688 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -4.5828 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 -5.6159 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 -6.5131 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -5.5196 4.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -4.9811 5.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 -4.9770 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 -5.5103 4.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7093 -2.6197 3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3069 -3.3802 3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -3.1222 6.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -3.7476 6.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -0.9639 5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -1.6497 5.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 -0.6112 7.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 -0.5538 7.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 -2.0609 7.7057 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 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 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 1 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END