HMDB0042716 RDKit 3D TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -5.7669 2.0710 -6.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0674 0.6549 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0987 0.3790 -4.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3908 0.1173 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8355 0.0713 -3.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0262 -1.2891 -2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3953 -1.6214 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7307 -0.8130 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7453 0.6204 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9738 1.3788 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9661 0.8560 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3827 1.2834 2.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6436 1.9995 3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 2.5155 3.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 4.0321 3.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9957 4.6967 3.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 4.4772 2.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 5.2573 2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 4.9976 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 5.7049 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 6.4422 1.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 5.5940 -0.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 6.1933 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 5.9348 0.4607 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5339 6.8370 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3242 6.5260 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 6.6570 -2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 7.2240 -2.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 6.1545 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3619 5.2034 -4.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8458 4.1923 -3.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 3.1847 -3.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 2.3364 -2.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 1.3102 -2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 0.6030 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 -0.4348 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 0.2656 -1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 -0.6624 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 0.1240 -1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 1.2090 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 1.9155 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 4.6084 0.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 3.8026 1.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 4.2809 2.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 2.3977 1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 1.6512 2.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3744 0.2116 2.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 0.1286 2.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -1.3764 2.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3772 -1.7649 1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -2.6789 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -3.4584 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -3.2297 2.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.1155 2.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0855 -5.5335 2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 -5.6570 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 -6.5365 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 -7.5192 1.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -8.9072 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 -9.7150 1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -9.3055 1.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -9.3735 0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 -8.9566 0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -8.9884 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -8.0789 -1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 2.2376 -7.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 2.2156 -6.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 2.7970 -5.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7934 -0.0719 -6.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1114 0.5822 -5.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0348 0.4007 -5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 -0.0765 -2.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8548 0.8910 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5215 0.2308 -4.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8333 -2.1249 -3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4854 -2.7591 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8321 -1.1263 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -1.2167 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4864 1.1241 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0537 2.4447 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -0.2113 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0151 1.3748 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3975 0.9710 3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 2.2570 4.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 2.1579 2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 2.1909 4.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 4.2728 4.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 4.4091 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 4.2992 4.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1551 5.7833 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 4.8798 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 3.4169 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 4.8617 2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 6.3148 2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 3.9338 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 5.4250 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 7.2518 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6026 5.7034 -1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 6.2446 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1259 7.8796 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 6.9380 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 6.9234 -3.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 5.5260 -2.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 4.7275 -4.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5979 5.7680 -4.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 4.6680 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 3.5698 -2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 3.5911 -4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 2.4919 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2207 3.0623 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 1.8331 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 1.7036 -3.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 0.5316 -3.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 1.3929 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 0.1615 -0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -1.2500 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 -0.8290 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 1.0443 -0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 0.7414 -2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -1.4455 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 -1.0980 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4931 -0.5575 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 0.5717 -2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0299 1.9765 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 0.8661 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0164 1.2771 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 2.3503 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 2.7952 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.7830 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 2.4366 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 2.1040 3.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 1.7602 3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 -0.3630 2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2503 -0.2638 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4139 0.5015 3.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1622 0.6423 1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2359 -1.3142 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1028 -1.9473 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 -1.2126 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 -2.9258 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 -3.1588 3.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 -4.4914 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -2.2069 2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 -3.9490 2.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -6.1410 3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 -5.6836 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 -4.9553 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 -6.5908 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -7.5274 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -7.2376 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -9.2460 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -10.7555 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 -8.2893 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 -10.0602 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 -10.4262 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 -8.7650 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -7.9724 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -9.7163 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5938 -8.7683 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5534 -10.0296 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0577 -8.6087 -2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8931 -7.2585 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 -7.5577 -1.1802 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 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 1 0 27 28 2 0 27 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 24 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 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 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END