HMDB0042583 RDKit 3D TG(14:0/20:2n6/20:3(5Z,8Z,11Z)) 163162 0 0 0 0 0 0 0 0999 V2000 0.6561 -2.6535 8.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 -4.0336 9.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -5.1260 8.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -5.2919 6.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6554 -5.5752 7.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 -5.8628 5.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -5.2571 5.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -4.1387 5.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 -3.0607 4.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6009 -1.8393 4.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -1.2643 6.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 -0.6434 6.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 0.0282 7.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 0.5984 7.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 1.6238 6.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3202 2.3223 5.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 1.7199 5.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 0.6219 6.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 0.2742 5.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 -0.1421 4.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3988 -0.0213 3.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -0.6433 3.6516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -1.0271 2.2534 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0628 -2.5027 2.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 -3.1018 0.9889 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 -3.2099 0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4975 -2.7420 1.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 -3.8866 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -4.0058 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 -2.7226 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 -2.1368 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -1.8590 -3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -2.0731 -3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -0.9933 -3.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 0.2820 -3.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 0.9815 -3.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 1.6864 -4.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 2.9604 -4.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 3.8568 -3.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 4.5092 -3.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 5.4188 -2.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 6.1095 -2.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 7.0040 -1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 6.2734 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 5.2147 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 4.5073 1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0977 -0.2034 1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -0.3694 0.1923 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -0.0488 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 0.3813 -0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -0.1406 -2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 -0.8885 -2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3717 -0.8967 -4.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 -1.5346 -4.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1789 -1.5418 -6.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 -0.1335 -6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -0.1500 -8.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 1.2360 -8.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 1.9532 -8.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 1.2108 -8.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 1.9653 -8.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 1.0870 -8.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6045 1.6953 -8.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -2.5325 7.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 -1.9237 9.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.3897 8.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -4.1600 9.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 -4.0557 10.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -4.9904 8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 -6.0886 8.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -4.4079 6.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -6.1674 6.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 -4.8091 7.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 -6.5238 7.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -6.7280 5.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 -5.6248 4.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 -3.8255 6.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -4.4244 5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 -3.3253 3.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.1219 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 -0.3781 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 -1.8817 7.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -1.3457 5.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 0.1536 5.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.6017 8.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 0.9326 7.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 1.0744 8.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -0.2388 6.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.0839 5.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 2.3766 6.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 2.9264 6.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 3.2591 5.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 1.4044 4.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 2.5774 5.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4174 0.8990 7.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -0.2993 6.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1706 1.1994 5.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 -0.5168 6.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 -0.7414 1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 -2.8680 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -2.9391 3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -4.8755 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 -3.2572 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 -4.6649 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -4.6063 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 -1.9647 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1868 -2.9435 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6603 -1.9229 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -1.4651 -4.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -2.7855 -4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2348 -2.7814 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -1.3382 -3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.9264 -3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 1.7347 -2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 0.3842 -3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 1.1149 -5.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 3.4194 -5.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 3.4278 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 4.7373 -3.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 3.7408 -3.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 5.1353 -4.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 6.2255 -2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 4.8770 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 6.7065 -3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 5.3452 -2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 7.8166 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 7.5342 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 7.0411 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 5.8686 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 4.4263 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 5.6726 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 5.1627 2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 4.3679 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1915 3.5092 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 0.9192 1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -0.3283 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 0.9170 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 -0.5759 -2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -0.4741 -2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 -1.9505 -2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -1.3665 -4.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 0.1908 -4.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 -2.6038 -4.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -1.0107 -4.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 -2.1808 -6.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -2.0101 -6.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 0.4044 -6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 0.4119 -6.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 -0.8692 -8.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 -0.5399 -8.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 1.8028 -8.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2245 1.1858 -9.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 2.1413 -7.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 2.9604 -8.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 0.9969 -9.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9039 0.2299 -8.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1248 2.1275 -7.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1458 2.9264 -8.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 0.8813 -9.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1119 0.1115 -8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0482 2.2805 -9.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4531 2.3524 -7.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2841 0.8843 -7.9918 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 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 1 0 20 21 2 0 20 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END