HMDB0042116 RDKit 3D TG(14:0/15:0/20:4(8Z,11Z,14Z,17Z)) 150149 0 0 0 0 0 0 0 0999 V2000 2.5085 -1.0178 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 -1.7494 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -2.7862 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -2.8849 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 -1.8483 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 -1.2182 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 -1.2023 2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7298 -1.7644 1.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9383 -0.9386 1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0411 0.3648 1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 1.2343 1.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 1.9966 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 3.2835 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 4.2225 1.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.8926 1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 5.6506 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 6.1494 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 6.8870 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 7.3412 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 6.1632 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 5.7466 1.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 5.4758 -0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1065 4.3522 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 3.8184 -0.8420 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0599 4.8847 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0324 4.3235 -1.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 4.9762 -2.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 6.1442 -1.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1608 4.2136 -3.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3577 3.7989 -2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8182 2.9659 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9422 2.5470 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4242 1.7279 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5857 1.3359 1.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1297 0.5175 3.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 1.2853 3.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7019 0.4925 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 0.1080 5.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3824 -0.6804 7.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -1.0223 7.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3717 0.1709 8.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 2.6472 -0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 1.4499 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 1.4872 -2.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 0.1818 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4372 -0.6475 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1983 -1.9272 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 -2.8174 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 -3.3069 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3274 -4.2084 -2.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -4.8021 -3.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -5.6081 -2.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 -6.2550 -2.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -7.2313 -3.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -7.8972 -4.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -8.8839 -5.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 -8.3200 -6.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -7.2557 -7.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.6968 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 -0.1609 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7463 -1.7327 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -2.1757 -3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -0.9788 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 -3.5978 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -3.7247 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6265 -1.0480 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 -2.3345 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -0.7539 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -0.7642 3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 -2.5560 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -2.4228 2.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 -1.4739 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0700 0.8183 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9697 0.9623 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 2.0942 2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6016 1.4236 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3571 3.7545 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 3.8671 2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2445 5.0895 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 4.1664 2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 5.6594 2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6696 5.0585 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 6.5610 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4361 6.8222 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 5.2762 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 7.8179 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 6.3279 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 7.9238 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 8.0433 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 4.6190 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 3.5661 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 3.7310 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 5.7916 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 5.1961 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5018 4.8432 -3.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7298 3.2821 -3.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 3.1931 -2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9182 4.6607 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 2.0302 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0101 3.4934 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7086 1.9738 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4346 3.4372 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9275 0.8051 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 2.3987 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 2.2372 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2991 0.7609 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6381 -0.4277 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0342 0.2511 3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 1.5985 3.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6958 2.1969 4.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 -0.4396 4.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 1.0340 5.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4381 0.9575 6.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5704 -0.5501 5.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -1.5914 6.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7181 -0.0050 7.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3512 -1.6604 8.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 -1.6675 7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6982 0.0449 9.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2888 0.2834 7.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8339 1.1231 8.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -0.4429 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2356 0.3207 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -0.8030 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 -0.0848 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 -2.4664 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 -1.5842 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9466 -2.3388 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 -3.7172 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 -3.8798 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4018 -2.4938 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 -3.6281 -3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -5.0327 -2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 -3.9742 -3.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -5.4739 -3.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -6.3666 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 -4.9253 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4721 -6.7830 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 -5.4750 -3.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 -6.7284 -4.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -8.0009 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 -8.4894 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -7.1667 -4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -9.6564 -4.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -9.4056 -5.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -9.1700 -7.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 -7.9333 -6.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -6.3440 -6.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -7.6942 -7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 -7.0413 -8.1887 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 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 41121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 58150 1 0 M END