HMDB0043630 RDKit 3D TG(15:0/18:3(9Z,12Z,15Z)/20:0) 164163 0 0 0 0 0 0 0 0999 V2000 6.0663 -5.1328 -3.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 -5.2536 -2.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -6.6331 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -6.9613 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 -6.0702 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2946 -5.9850 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 -6.5328 1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -7.4523 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -6.8544 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 -6.5788 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 -6.7744 -2.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 -5.4625 -2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 -4.8900 -3.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -3.6418 -3.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -2.5803 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -1.3237 -3.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -0.2028 -3.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 0.3517 -2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 0.3592 -1.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 0.8755 -1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 1.4268 -0.6039 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0282 2.8406 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 3.7074 -1.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5393 5.0401 -1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 5.3630 -1.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 6.0260 -2.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 5.9832 -3.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9468 6.1560 -4.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 5.1527 -4.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 3.7334 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 2.7635 -4.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 1.3754 -4.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3015 0.3342 -4.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 0.4856 -5.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -0.5884 -4.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0675 -1.9557 -4.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -3.0355 -4.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2012 -2.9794 -2.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1459 -4.0770 -2.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 0.6722 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 -0.6504 0.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -1.2917 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2509 -0.5301 1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 -2.7475 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 -3.2901 2.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -2.8219 3.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 -3.5501 4.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 -3.3433 3.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 -1.8604 4.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 -1.6580 3.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 -0.3480 4.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 0.8671 3.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3092 1.3492 3.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 2.7090 3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 3.2114 3.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 4.5580 3.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 5.0387 3.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 6.3960 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 6.8212 3.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 8.1799 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 8.5323 3.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8216 9.9086 3.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9557 -5.6443 -3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -4.0529 -3.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 -5.5387 -4.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 -4.5028 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 -5.0301 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -7.4685 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -8.0679 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5407 -5.0282 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -6.4497 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -5.2997 2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -6.2852 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -7.5678 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -8.4172 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 -6.6379 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 -6.1418 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 -7.4293 -2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 -7.2932 -2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 -5.6741 -3.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 -4.7689 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -4.6728 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 -5.6503 -3.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -3.2609 -4.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -3.9121 -4.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 -2.3164 -2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -2.9030 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 -1.6806 -4.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -1.0322 -4.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 0.6141 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -0.4924 -3.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 1.4101 0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 2.8156 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 3.1965 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 6.1102 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 7.0492 -2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 5.0311 -4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 6.8379 -4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 7.1952 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 6.2081 -5.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 5.1390 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 5.3820 -5.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 3.6729 -5.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 3.4915 -4.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0286 2.9016 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 3.0205 -5.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 1.3956 -5.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 1.1283 -4.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8677 -0.6476 -4.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 0.2174 -3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5586 0.4031 -6.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0953 1.4739 -4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 -0.5068 -3.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 -0.3913 -5.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9652 -2.0322 -6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 -2.1472 -4.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6141 -4.0203 -4.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0108 -2.8332 -4.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6843 -2.0122 -2.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -3.1181 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0611 -4.9155 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8365 -4.3779 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1844 -3.7300 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 1.2942 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 0.7530 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -3.2833 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5423 -3.0899 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 -4.3933 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -3.1132 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -3.1617 4.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -1.7395 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -3.3034 5.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 -4.6581 4.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 -3.8878 4.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 -3.6754 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6022 -1.3274 3.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9798 -1.4889 5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 -1.8581 2.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 -2.5127 4.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 -0.2290 5.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3454 -0.4217 3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4207 1.6968 3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 0.8568 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.7050 3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 1.5942 5.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 2.5167 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 3.3987 3.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 2.4468 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 3.2868 4.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 4.5128 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 5.2768 3.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 4.2900 3.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 5.1207 4.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 7.0924 3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 6.4323 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 6.0965 3.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 6.8676 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 8.9566 3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 8.2197 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 8.5574 4.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 7.8229 3.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 10.5575 4.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 10.4171 2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5967 9.8545 2.4111 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 1 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 2 0 24 26 1 0 26 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 21 40 1 0 40 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 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 1 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 62164 1 0 M END