HMDB0047814 RDKit 3D TG(14:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -6.1822 0.0288 6.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3335 1.0229 5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8181 1.1383 4.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1318 0.8423 3.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 0.3417 3.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 -0.9788 2.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 -1.2737 1.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0311 -0.4344 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 0.9788 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 1.6872 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 1.0187 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 1.3055 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 1.9038 3.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 2.3810 2.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 1.9468 2.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1793 1.0651 2.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 0.1747 3.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -1.2026 3.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 -2.1901 3.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -2.1064 3.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -2.5997 1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 -1.9187 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 -0.9887 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 -2.2668 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -1.8417 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3812 -1.9873 -2.3967 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3360 -1.0978 -2.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4687 0.2237 -3.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 1.3761 -2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 1.3555 -1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 2.7148 -3.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 3.3403 -2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 4.6727 -3.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2419 5.6897 -3.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 6.1338 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 6.7754 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 7.2280 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 6.1349 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 5.8590 1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2761 6.5526 1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 5.6164 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7288 6.4790 1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 7.5693 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -3.3530 -2.6293 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 -4.1750 -3.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5466 -3.7347 -4.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 -5.5695 -3.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 -5.9711 -2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 -7.3573 -2.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -7.8355 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -6.8698 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 -7.3333 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -6.4884 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -6.0676 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 -5.0578 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -4.6869 -1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -3.6566 -2.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 -3.2233 -3.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 -2.1775 -4.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4844 -1.7872 -4.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -0.7327 -5.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 0.5195 -5.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 1.5074 -6.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6829 -0.2448 7.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1671 0.4562 6.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3545 -0.8610 6.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6397 2.0294 6.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 0.9701 6.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8518 1.5077 4.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6016 0.9743 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 1.0483 3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.2161 4.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 -1.7954 3.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 -2.3559 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 -0.5951 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 -0.9236 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 1.6249 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 2.7955 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 1.3129 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 -0.0816 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 1.0122 3.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4699 2.1006 4.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 3.5650 2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 2.3224 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 2.5041 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 0.9508 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 0.2258 4.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 0.4655 4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2261 -1.3174 3.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 -3.1992 2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 -2.8709 3.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -1.1702 3.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 -3.7050 1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 -2.4368 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8988 -2.4070 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 -0.7750 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -1.8145 -3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -1.4783 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 -1.4126 -4.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 3.3295 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 2.5184 -4.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 3.4910 -1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 2.6794 -3.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 4.5099 -4.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 5.0820 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 5.2724 -3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 6.5733 -3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 5.3437 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 6.9375 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 7.6974 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 6.0358 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 7.9155 0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 7.8956 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 5.5190 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 5.0234 2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 6.8309 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4474 7.4796 1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 5.1412 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5057 4.8489 2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 5.8891 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 6.9723 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0628 7.2197 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 8.5079 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 7.7778 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9462 -6.2015 -3.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -5.6311 -4.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2494 -5.8941 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 -5.2288 -2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -7.4106 -3.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 -8.0891 -2.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 -8.8423 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 -7.7607 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -5.8815 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -6.9759 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 -7.6307 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 -8.3203 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -6.9658 2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -5.5607 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 -5.6227 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -6.9303 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -4.1391 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -5.2407 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -5.6098 -1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 -4.3417 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -4.0720 -3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -2.7424 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 -4.1100 -3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 -2.8389 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 -1.3118 -3.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 -2.6289 -4.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8535 -2.6801 -5.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 -1.3862 -4.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -1.0711 -6.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1643 -0.4590 -6.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 0.3071 -4.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3365 0.9860 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 1.5577 -7.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 1.1473 -7.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 2.5108 -6.0430 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 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 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 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 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 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 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 6 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 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