HMDB0050179 RDKit 3D TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 6.9093 -0.4230 -6.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 0.4941 -5.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2156 -0.3221 -4.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -0.3627 -3.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8387 0.4208 -2.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -0.4715 -1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5643 -0.4234 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 0.5135 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1656 1.3796 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 2.6674 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 3.4729 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8072 4.4075 1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 5.6930 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 6.4259 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 7.3182 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 7.3391 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 6.5691 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 5.5262 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 4.2790 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 3.7769 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 3.1511 -1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 2.6795 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 2.9180 1.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 1.9983 -0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.5589 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 0.8373 -0.0985 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8210 -0.4054 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 -1.2227 0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 -2.4311 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7371 -2.7050 -1.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 -3.3994 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 -3.0384 2.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 -2.6878 2.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2138 -2.4285 4.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4807 -2.0055 5.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -0.6861 4.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 0.3995 4.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 1.6482 4.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 2.7293 4.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 2.9919 6.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 4.1529 6.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 4.2511 6.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 3.4275 6.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 1.9660 6.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 1.5459 5.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 2.0235 4.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 1.5465 3.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 1.6879 -1.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3244 2.0188 -1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1138 1.5332 -0.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8599 2.9352 -2.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 3.5303 -3.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0164 2.5650 -3.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8897 1.7535 -4.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 0.7486 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 -0.2110 -4.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -1.2841 -5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 -2.0976 -6.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -3.3779 -6.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 -4.1621 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0861 -4.7872 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2321 -6.0728 -4.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -7.0144 -4.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -7.8249 -3.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -9.1197 -3.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -9.9682 -4.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -10.9246 -5.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.1354 -6.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5207 -1.3532 -5.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6507 -0.6696 -7.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3243 1.0928 -5.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 1.2391 -4.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0684 -0.9727 -4.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4918 -1.0037 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2941 1.1567 -1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 1.0353 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 -1.1947 -2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 -1.1098 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 -0.1738 1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 0.9857 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 0.8765 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 3.2433 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0691 2.8923 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 3.9787 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 3.9817 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1909 6.3323 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.1658 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 5.7976 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 8.0616 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 8.1535 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 6.2680 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 7.3419 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 5.7942 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 3.5603 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6181 4.4443 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 2.8986 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 2.3060 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 3.8633 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 0.9197 1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 2.4301 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 0.4947 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.2069 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6158 -0.9821 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 -4.3599 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 -3.6915 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -3.9451 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -2.2653 2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 -3.5890 2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 -1.8547 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -1.7869 4.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9546 -3.4310 4.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -2.7787 5.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -1.9210 6.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -0.3996 5.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -0.8330 3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0025 0.0426 4.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 0.4641 5.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 1.6033 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9966 3.5944 4.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4424 3.3009 6.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 2.0834 6.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 5.0235 5.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 4.5545 7.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7632 5.3404 6.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 4.0749 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 3.6243 8.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 3.8043 6.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9705 1.4095 7.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 1.5802 7.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.9275 4.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.4450 5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 1.5452 5.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 3.1428 4.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 1.1070 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 2.3510 2.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 0.7377 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6459 2.4373 -2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3813 3.8018 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 4.0963 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 4.3004 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 2.0048 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 3.1937 -4.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7129 1.2768 -4.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 2.4955 -5.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 1.3620 -6.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7842 0.2760 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 -0.6568 -3.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6564 0.3655 -4.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 -0.6618 -5.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 -1.7487 -4.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 -1.5918 -7.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -3.9593 -6.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -3.5374 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -4.8264 -5.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8518 -4.1032 -3.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 -6.5041 -3.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 -7.6712 -5.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -6.6009 -5.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 -7.2437 -2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -9.5754 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7918 -9.5186 -5.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 -10.6661 -4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -11.0737 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -10.4971 -5.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -11.9060 -5.3568 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 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 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 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 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 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 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END