HMDB0110583 RDKit 3D TG(19:0/i-18:0/14:0) 164163 0 0 0 0 0 0 0 0999 V2000 7.3186 -1.3548 -4.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 -1.9518 -5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -3.1220 -4.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7539 -2.6869 -3.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -3.8471 -3.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1138 -3.3252 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -4.3929 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 -5.5255 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -6.5928 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 -6.2963 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -5.7617 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 -4.4511 2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -4.0319 3.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -3.8898 4.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -3.4862 5.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 -3.3216 6.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -2.2495 6.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -2.0181 5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 -0.9640 5.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -0.6159 7.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 -0.3851 4.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 0.5804 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 0.9645 3.4051 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7099 1.8307 2.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 1.2562 2.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 2.1219 2.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 3.3492 2.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0174 1.6006 2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 2.6840 2.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4533 2.1535 2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 1.7024 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 2.8868 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 3.8940 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 5.0645 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 5.9040 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1772 6.4225 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 7.3535 1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 7.0213 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 6.7931 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 6.5349 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 -0.1862 2.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -0.3786 2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 0.5464 2.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9119 -1.5903 1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2109 -1.4773 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3695 -0.6927 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9983 0.7685 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2992 1.3322 -1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 2.7582 -1.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6976 3.3566 -1.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 3.2824 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 4.0539 -0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 3.4615 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 2.0230 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 1.5111 -2.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 2.2321 -3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 1.6724 -4.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 2.4076 -4.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 2.2779 -3.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 1.8649 -5.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -0.7858 -4.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7418 -2.1144 -3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 -0.6540 -3.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -1.1694 -5.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 -2.2773 -6.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 -3.4946 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 -3.9020 -4.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3967 -2.3059 -2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -1.8924 -3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 -4.6259 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -4.3199 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7955 -2.8237 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -2.5535 -2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6276 -3.9177 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5829 -4.7623 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -5.2019 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 -6.0149 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 -7.0550 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 -7.4392 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -7.2711 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -5.6702 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -5.7224 2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 -6.5747 2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -3.6376 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 -4.5269 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -3.0385 3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 -4.7340 4.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -4.9606 4.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -3.2627 4.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7897 -4.2463 6.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 -2.5144 5.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -4.3187 6.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4071 -3.3502 7.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 -2.4134 7.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4202 -1.2449 7.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1624 -1.5206 4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -2.8932 5.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 0.1133 5.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 1.4813 5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7173 1.6277 3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9397 2.2606 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 2.7380 3.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 0.9034 3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 0.9947 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 3.1073 3.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 3.5377 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 2.8539 2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 1.2282 3.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 0.9112 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 1.2367 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 2.4665 -0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 3.3721 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 4.2341 1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 3.3966 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4653 5.7842 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 4.7242 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 5.2396 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 6.6922 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 6.9206 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 5.5480 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 8.3583 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 7.6192 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 7.8633 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 6.1371 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 5.9329 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2899 7.7159 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 5.5862 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 6.4939 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 7.3375 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0504 -2.3696 2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 -2.0444 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9726 -1.1863 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5342 -2.5492 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 -0.7185 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 -1.2286 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9375 0.8370 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6779 1.2927 0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4084 1.0879 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7881 0.6972 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5736 3.0335 -2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7257 3.3742 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 4.4543 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1322 2.9419 -2.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5719 2.3015 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 3.8201 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 5.1121 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 3.8743 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2284 3.6203 -2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 4.0174 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3246 1.3677 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 1.8825 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 1.7003 -3.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 0.4309 -2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 3.3182 -3.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 2.2016 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 0.5869 -4.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 1.8757 -5.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 3.4870 -4.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 3.2184 -2.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 2.0294 -3.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 1.4048 -2.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 1.7025 -5.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 0.8978 -6.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 2.5757 -6.7479 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 1 0 19 20 2 0 19 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 2 0 26 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 23 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 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 58 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 22 98 1 0 22 99 1 0 23100 1 1 24101 1 0 24102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 40129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 59159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 60164 1 0 M END