HMDB0043592 RDKit 3D TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 160159 0 0 0 0 0 0 0 0999 V2000 4.4112 -3.6252 -9.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 -3.3614 -7.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 -1.9102 -7.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 -1.2662 -6.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 -1.9047 -5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5508 -1.9036 -4.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 -1.4002 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -0.6805 -4.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 -1.4660 -4.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -0.9040 -3.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 0.4696 -2.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 1.2305 -3.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 1.7138 -2.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 1.5692 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 0.9234 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3005 1.7643 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0613 3.1365 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6739 2.9329 1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 1.9936 2.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 3.8500 1.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 4.0497 3.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 2.9157 3.5032 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4591 2.3354 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 2.9548 1.8457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 4.0591 1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 4.7896 0.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 4.5267 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 5.5731 1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 4.9532 2.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 6.0118 3.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0091 5.4680 4.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 4.1879 4.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 3.7806 6.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 2.5278 6.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 2.1929 5.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 2.0133 4.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 0.9226 3.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 0.7048 2.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 -0.3991 2.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 -1.7042 2.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.8352 3.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 1.3573 5.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 1.8930 5.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 0.2794 5.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -0.8095 4.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3355 -1.9184 4.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -3.0440 3.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -4.0997 4.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6173 -3.5788 4.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6477 -4.0601 3.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6192 -5.1985 2.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -4.8410 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4407 -4.9607 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0597 -5.4750 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -6.7507 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 -6.8987 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 -5.9005 -2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -6.4196 -2.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -6.6883 -3.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9691 -6.5202 -4.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -5.5452 -5.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -4.1648 -4.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -3.1925 -5.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 -3.1299 -7.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 -3.1673 -9.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -4.7285 -9.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8298 -3.1941 -10.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.9544 -7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 -3.7998 -8.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -1.2408 -8.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 -0.1491 -6.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -1.4370 -5.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.9601 -6.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 -2.4196 -3.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -1.5268 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -0.7419 -5.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 0.3378 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1408 -2.4871 -4.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -1.5679 -3.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 0.5754 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 1.0414 -3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 1.3842 -4.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 2.2779 -2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 2.6150 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 0.9830 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -0.0084 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8735 0.6207 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 1.2437 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 1.9227 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 3.6979 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 3.6529 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 4.9978 3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 4.1714 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 3.2248 4.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 1.3503 2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 1.8907 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 3.7075 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 4.9599 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 6.4036 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 5.9774 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 4.0409 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 4.6782 3.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 6.2817 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0945 6.9276 3.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 6.2137 5.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 5.2501 5.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 3.3654 4.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 4.4588 4.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 3.7172 6.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 4.6182 6.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9774 2.4152 7.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 1.6260 6.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5951 1.2290 6.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9323 2.9910 6.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2283 2.9296 3.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 1.6284 4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 -0.0308 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 1.1861 4.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0849 1.6423 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4418 0.4922 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -0.1350 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -0.5688 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -1.9579 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 -2.4869 2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 -1.6831 3.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -0.1024 6.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 0.7091 5.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 -0.3753 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 -1.1945 4.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 -2.3058 5.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3465 -1.4342 4.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -2.6257 2.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3146 -3.5237 3.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 -4.3479 5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 -5.0580 3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7881 -2.7119 4.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6439 -3.5907 3.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4502 -5.9003 3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7536 -5.8578 2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1554 -4.4434 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8374 -4.6878 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 -5.5970 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4597 -4.7146 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -7.6165 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3319 -7.9135 -1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3457 -4.9403 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -5.5548 -3.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -6.5672 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3443 -7.0569 -3.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 -7.5288 -5.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -6.3267 -4.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 -5.5382 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 -5.8722 -5.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 -4.2266 -3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 -3.8269 -4.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -3.5007 -5.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -2.1890 -5.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -4.0486 -7.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -2.2074 -7.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3071 -3.1053 -6.9991 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 39 40 1 0 22 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 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 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 0 21 93 1 0 22 94 1 1 23 95 1 0 23 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 40123 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 50137 1 0 51138 1 0 51139 1 0 52140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 64160 1 0 M END