HMDB0044745 RDKit 3D TG(18:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 163162 0 0 0 0 0 0 0 0999 V2000 2.8701 6.2239 1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 6.3997 2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 5.3934 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 4.4581 2.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 4.2875 3.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 4.3885 4.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9924 3.4242 5.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 2.1226 5.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 1.0706 5.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 0.2648 4.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 0.2887 3.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3003 0.5096 1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 -0.3532 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -1.5861 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 -2.7234 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8415 -3.5722 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 -3.4707 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 -4.7623 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -4.6389 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -5.8355 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -6.8882 -1.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -5.7901 -0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 -6.8584 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 -6.4024 1.1601 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9014 -5.2274 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 -4.2057 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 -2.9249 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.6699 -0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -1.9928 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 -0.5578 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 0.3003 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 -0.0636 -1.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 0.7092 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 0.2361 -3.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.5840 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 2.0780 -4.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 2.4054 -5.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 3.8420 -6.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 4.8163 -5.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 4.7449 -4.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 3.5755 -3.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 3.6987 -2.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 4.9150 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 4.9971 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 6.2649 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -5.9378 2.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -6.2377 3.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -7.0930 4.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 -5.4310 4.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1371 -4.0706 4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 -4.2643 5.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 -2.9869 5.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -2.5285 4.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 -1.2508 4.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -0.9917 3.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 0.2513 2.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3453 0.2946 1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 1.5098 1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7251 1.4368 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 1.3343 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3527 1.2662 -2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3711 1.1420 -3.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1129 1.0773 -5.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 6.1220 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3266 5.3025 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 7.0666 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 7.4538 1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 6.3750 3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 5.3720 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 3.7160 2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 5.1863 4.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 3.3978 4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 5.3498 4.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 3.5937 5.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 2.0346 5.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 2.0048 6.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2304 0.9683 5.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8532 -0.4879 3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 1.1894 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -0.6103 3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 1.4271 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 -0.1591 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 -1.7925 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3399 -1.4829 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0721 -2.8801 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4250 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 -3.5128 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -2.6671 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 -4.8412 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4356 -5.5988 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 -4.6032 -2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0201 -3.6951 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3227 -7.7992 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 -7.0127 -0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 -7.1944 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -4.9311 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 -5.5198 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -2.3142 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.1970 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 -0.2394 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3334 -0.4850 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 1.3600 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 0.2829 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 0.0757 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -1.1363 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 0.3408 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 1.7841 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 0.6427 -3.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -0.8695 -3.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 0.0666 -4.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 0.2066 -5.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 2.4932 -3.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 2.4908 -5.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.8886 -5.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 1.9635 -6.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 4.1779 -6.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 3.9216 -6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 5.0300 -4.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 5.8334 -5.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 4.9261 -4.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 5.6860 -3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 2.6152 -3.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 3.4904 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 2.7692 -2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 3.8573 -3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 5.8627 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 4.8061 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 4.1071 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 5.0919 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 6.7684 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 6.9940 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 6.0108 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -5.9785 5.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 -5.3296 3.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -3.4982 3.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -3.4967 5.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 -4.6324 6.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0754 -5.0257 5.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -2.2305 6.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0638 -3.2519 6.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 -3.3088 3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8902 -2.3543 3.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 -0.4123 4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 -1.4185 5.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 -1.8975 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 -0.8556 2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6181 0.3828 3.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 1.1351 2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 0.3038 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9438 -0.6083 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9896 1.5545 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5428 2.4375 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4528 2.2554 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3298 0.4870 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 2.1510 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1138 0.3628 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0595 0.4204 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9326 2.1989 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 0.2015 -3.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 1.9697 -3.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 1.5349 -4.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5827 1.6580 -5.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 0.0341 -5.4216 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 2 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 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 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 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 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 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