HMDB0048405 RDKit 3D TG(14:1(9Z)/O-18:0/22:4(7Z,10Z,13Z,16Z)) 164163 0 0 0 0 0 0 0 0999 V2000 11.1020 -5.2824 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8731 -5.2228 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9020 -6.2660 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 -6.1123 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 -7.1181 0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4606 -6.8878 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 -5.4948 1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -5.2094 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 -3.7668 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 -3.4786 2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -2.1517 3.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -1.6754 2.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8487 -1.5867 1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -0.9769 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 0.1622 0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -1.6201 1.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -0.9891 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -1.7946 1.4216 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4081 -2.0473 2.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 -2.2126 3.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -1.0945 4.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1721 0.0312 3.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -1.0277 5.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 0.4317 5.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 0.5270 6.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 1.9720 6.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 2.8551 5.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 4.2602 6.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 4.9941 5.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 4.5296 5.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 5.3615 3.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6423 4.7999 2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 3.3483 2.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 2.9189 1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 2.2961 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 1.9000 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 2.6078 -1.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 3.3805 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 3.6035 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 5.0359 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 5.1064 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 4.3473 1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2879 4.4905 2.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 -1.2514 0.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -2.0650 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 -1.5225 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1387 -2.4484 -2.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3164 -2.0036 -3.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4454 -3.0315 -4.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5135 -2.8072 -5.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5425 -1.6099 -5.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4782 -1.3618 -6.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 -1.0365 -6.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 0.2811 -5.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2924 1.4563 -6.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1342 2.7184 -5.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0625 2.8010 -4.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 4.1126 -4.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7339 4.2947 -2.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7055 3.2317 -1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 3.0424 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6403 1.9114 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6754 -4.3887 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8140 -6.2380 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2142 -5.1974 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -5.4007 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5418 -4.2045 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 -6.1488 1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 -7.2759 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1612 -5.0962 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7389 -6.3729 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 -8.2001 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -7.6748 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -4.7290 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -5.4721 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -5.8190 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -5.4799 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 -3.4844 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1816 -3.1415 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -3.7600 3.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 -4.2315 3.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -1.3385 2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -2.1121 4.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 -0.6902 3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -2.4140 3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -2.6377 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 -1.1283 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 -1.0011 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 0.0669 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -2.8307 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 -1.2303 3.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0239 -2.9921 2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -1.5440 4.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -1.4918 6.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 0.8928 6.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 0.9923 4.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 0.1644 6.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 -0.1135 7.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 2.3239 7.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 1.9959 7.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 2.4009 5.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 2.8023 5.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 4.7056 6.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 6.0599 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 3.4737 4.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 4.8587 5.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 6.4659 3.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 5.4194 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 3.1790 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 2.6897 3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 3.1837 2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 2.0645 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7203 0.7913 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 1.8692 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 2.4420 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 3.8843 -2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 3.3613 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 2.9096 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 5.6072 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 5.5361 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 4.7938 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 6.1757 0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0803 3.2749 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 4.7389 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 4.3482 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 5.4447 2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 3.6608 3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -2.2958 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 -3.0601 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6963 -1.5727 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 -0.5035 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3345 -3.4854 -1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2173 -2.4601 -2.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3305 -0.9721 -3.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2629 -2.1364 -2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7226 -3.9935 -3.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4641 -3.2748 -4.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5010 -2.7473 -4.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6501 -3.7580 -5.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5287 -1.6580 -6.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7447 -0.7388 -5.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4446 -2.2812 -7.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -0.5693 -7.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 -1.8027 -6.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4703 -0.9138 -7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8041 0.3658 -5.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 0.3379 -4.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 1.3837 -7.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 1.5515 -7.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2603 3.6351 -6.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0949 2.7927 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9656 2.0204 -3.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1122 2.7749 -5.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9384 4.9325 -4.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7175 4.1552 -3.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7871 4.3096 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6232 5.2911 -2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0277 2.2349 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4902 3.4780 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0751 3.9087 -0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5991 2.6408 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6754 1.4664 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2344 1.1213 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2308 2.2800 0.7697 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 18 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 3 69 1 0 4 70 1 0 4 71 1 0 5 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 17 88 1 0 17 89 1 0 18 90 1 6 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 0 24 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 43127 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