HMDB0043267 RDKit 3D TG(15:0/18:1(9Z)/20:3n6) 162161 0 0 0 0 0 0 0 0999 V2000 3.0621 -3.1581 5.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -3.5654 6.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 -2.4843 7.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -2.8566 8.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -1.7246 9.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 -2.0232 10.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -2.1572 10.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -2.0294 9.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 -3.2822 9.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4989 -4.0617 8.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -3.7910 7.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -3.6321 6.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -4.3835 5.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 -5.5178 4.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 -5.1889 3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 -4.8711 2.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 -4.5461 1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -4.0941 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 -3.7266 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.6514 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -2.2546 0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 -1.9987 -1.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 -1.0000 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 -1.7625 -0.5678 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5059 -1.0773 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 -0.0657 0.4398 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 1.1558 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 1.4742 -0.7011 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 2.1151 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0995 3.4265 -0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 4.1468 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 5.4687 -0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 6.2306 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 5.4798 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 6.1515 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 6.4470 1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 5.3769 2.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 4.4995 3.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 4.9908 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 6.0304 3.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 6.2547 4.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 7.3009 4.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 -2.4350 -1.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 -3.7713 -1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 -4.4314 -1.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -4.5267 -2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0871 -4.4071 -4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 -3.0128 -4.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -2.8609 -6.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -3.1057 -6.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -2.0613 -5.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 -0.6728 -6.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 0.3315 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 1.1775 -5.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 1.2308 -7.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.0191 -7.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 1.0894 -8.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3232 0.8829 -9.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4511 1.7290 -8.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 1.7848 -7.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0902 2.6972 -7.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2013 2.0866 -8.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -2.8574 4.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 -2.3403 5.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -4.0443 4.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -4.5121 6.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -3.5888 7.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -1.4982 7.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -2.3831 6.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -2.9058 9.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -3.7799 8.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -0.8052 9.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 -1.5139 8.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -2.1291 11.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 -2.3789 11.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4363 -1.2359 9.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -1.6876 8.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 -3.5601 10.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0981 -4.9974 8.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.9565 7.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -4.6798 6.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 -2.8224 6.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 -4.1604 4.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 -6.4197 4.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 -5.8297 5.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -4.3504 3.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4922 -6.0640 3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -4.0173 2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5807 -5.7389 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -5.5268 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 -3.8690 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 -3.2331 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 -4.8826 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5531 -3.3841 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 -4.6254 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 -0.4600 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -0.3552 -0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -2.6519 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 -0.7327 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -1.8772 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8637 2.2475 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 1.6411 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 3.3592 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9986 4.0982 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 3.5557 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 4.3546 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 6.1394 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 5.2950 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 6.5706 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 7.1883 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 4.3995 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 5.4115 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 5.6757 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 7.1635 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 7.2721 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 7.0115 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 5.8066 3.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 4.6717 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 3.8961 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 3.6751 3.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 5.3110 5.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 4.0917 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 7.0271 3.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5025 5.6013 2.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 6.6488 5.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 5.3014 5.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 6.9293 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 7.6833 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 8.2044 5.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -4.1951 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 -5.5941 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -4.8375 -4.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 -5.0845 -4.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 -2.3076 -3.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -2.7244 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1977 -1.9456 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -3.7055 -6.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 -3.0216 -7.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -4.0862 -5.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.1238 -4.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 -2.2502 -5.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.6870 -7.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -0.4649 -5.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 0.3861 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 1.9213 -5.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 2.2921 -7.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 0.6040 -7.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0637 1.8388 -6.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8442 0.0496 -6.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 2.0884 -9.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 0.3594 -9.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 0.9154 -10.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5553 -0.2289 -9.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2861 2.7930 -9.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 1.4386 -9.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1271 2.2473 -6.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1182 0.7768 -7.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8182 3.7056 -7.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3117 2.6848 -6.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1884 2.1684 -7.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2442 2.6142 -9.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9804 1.0136 -8.1898 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 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 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 24 43 1 0 43 44 1 0 44 45 2 0 44 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 2 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 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 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 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 41125 1 0 41126 1 0 42127 1 0 42128 1 0 42129 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 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M END