HMDB0042177 RDKit 3D TG(14:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 5.0721 1.6077 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5758 1.5049 -1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 0.8716 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.2004 -1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 -1.1061 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -0.8890 -2.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 -1.6286 -2.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.8197 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -2.6400 -0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -3.4478 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -4.7581 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7674 -5.4376 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -5.8439 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 -5.6983 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -7.1348 -3.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -7.6428 -2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -6.9097 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -7.1277 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3717 -6.6940 -2.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 -5.2570 -3.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -4.6343 -3.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -4.5057 -3.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -3.1908 -4.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -2.0782 -3.1756 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5073 -1.9858 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.7891 -1.5045 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -0.5102 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 -1.3763 -0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 0.7186 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 1.8169 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7864 1.4869 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5267 2.7241 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0055 2.4889 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5869 2.1247 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4164 3.2660 1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0165 2.9428 2.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5453 1.8329 3.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3301 1.7051 4.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9469 1.8708 4.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 3.2255 3.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 3.1561 3.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2154 -0.8885 -3.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 0.1110 -3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 -0.0137 -2.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 1.3013 -4.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 2.3752 -4.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 2.0287 -4.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 3.2749 -3.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 3.7552 -2.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 2.7004 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 3.1510 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 4.4016 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 4.7564 1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 3.6849 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 4.1576 4.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 3.1335 5.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 1.8376 4.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 0.7900 5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 0.4361 6.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -0.6361 7.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -0.0366 8.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 2.2024 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 0.5999 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 2.1347 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 1.1212 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 2.5992 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 1.4141 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3155 -0.5155 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0892 -1.1058 -3.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 -2.1989 -2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 -0.0439 -3.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -1.4206 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 -2.8997 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0275 -3.7147 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -1.6645 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -3.1025 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -4.7974 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -5.4959 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -5.7229 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -6.3622 -3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -5.2138 -4.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 -5.0838 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -7.7622 -3.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 -8.7293 -2.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -7.4322 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -5.8613 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -8.2168 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -6.6433 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -7.2554 -3.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 -7.0524 -3.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9404 -4.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 -3.1251 -4.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -2.0951 -2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 -2.7907 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4442 -2.0303 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 0.4583 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 1.1038 0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1053 2.7282 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 2.0172 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 1.2147 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 0.6700 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 2.9355 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 3.6219 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5125 3.3684 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1666 1.6546 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0915 1.1972 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6939 1.9924 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4206 3.6629 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0311 4.1063 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1425 2.8514 2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0165 3.8703 3.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 1.6649 4.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7592 0.8159 3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4223 0.6462 4.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 2.3273 5.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5955 1.1749 3.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3094 1.5013 4.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 3.8827 4.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8482 3.7616 2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 3.0357 4.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 2.3789 2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 4.1389 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 1.0141 -5.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 1.6819 -4.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 2.7673 -3.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 3.2981 -4.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 1.1594 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3414 1.8037 -5.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 3.1849 -4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 4.0802 -4.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 4.1722 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 4.5884 -2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 2.5562 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 1.7168 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 3.3058 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 2.3424 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 4.3353 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 5.2765 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 4.9423 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 5.6954 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 2.7973 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 3.3897 2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 4.4427 4.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 5.0488 4.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 2.9914 5.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 3.5513 6.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 1.4228 3.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 1.9879 4.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 1.1361 6.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 -0.1024 5.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 1.3185 6.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 -0.0133 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 -1.4572 6.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 -0.9773 7.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 -0.1797 8.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 -0.4574 9.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 1.0821 8.4361 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 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END