HMDB0072447 RDKit 3D TG(10:0/13:0/a-17:0)[rac] 131130 0 0 0 0 0 0 0 0999 V2000 -0.7776 -4.6807 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -4.2424 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -4.5845 -2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 -4.1808 -3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 -2.7146 -3.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -2.2602 -4.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -2.8223 -3.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2447 -2.6911 -2.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 -3.2630 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6322 -3.0696 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 -1.7548 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9399 -0.8978 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.3558 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 -0.3376 -1.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 0.2552 0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 0.8139 0.0365 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5550 2.3126 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 2.6453 1.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 4.0018 1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 4.8557 0.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 4.4272 3.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 4.6665 3.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 5.7687 2.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 5.9276 3.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 7.0058 2.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 7.1172 2.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 5.9413 2.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9247 5.4882 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 5.0482 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 0.1198 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 0.0447 1.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3122 -0.5646 2.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 -1.1724 2.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -0.5744 3.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 0.5879 4.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 0.7943 3.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -0.3456 2.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 -0.0363 1.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 0.2510 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 0.5252 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 -0.6222 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -1.8775 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -3.0099 -1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 -2.7246 -2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5019 -2.4766 -3.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -2.2006 -4.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4617 -3.3374 -4.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -0.9290 -4.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 0.2558 -4.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 -4.0763 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 -5.7531 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 -4.6410 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -3.1571 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -4.6976 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 -4.1580 -2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -5.7132 -2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 -4.7783 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -4.4630 -4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -2.2858 -3.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.2875 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1597 -1.1195 -3.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -2.4222 -5.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 -2.3417 -4.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5176 -3.9201 -4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2652 -3.2153 -2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6093 -1.6352 -2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 -2.9730 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6407 -4.4062 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2557 -3.6956 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5873 -3.6421 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8682 -1.8610 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4556 -1.1406 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4362 -1.4790 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5021 -0.0525 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 0.7147 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 2.6442 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 2.8001 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 3.6836 4.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 5.3676 3.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 5.0760 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1982 3.7704 3.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 5.5175 1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 6.7219 2.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 4.9542 3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 6.3256 4.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 7.9672 2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 6.9168 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 7.4519 3.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 7.9417 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 5.0714 3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 6.2270 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 4.6373 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 6.3180 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 5.8425 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 4.6742 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 4.2100 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 -0.8779 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 0.7123 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -1.5585 3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -0.6667 4.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 0.4593 5.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 1.5177 4.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 1.6495 3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 1.1776 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -0.6166 3.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 -1.2838 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 0.8562 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 -0.8389 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -0.4807 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 1.2455 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 1.3633 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 0.9121 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3613 -0.7808 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -0.3369 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -1.7505 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -2.1830 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 -3.8966 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4881 -3.3276 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -1.8887 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 -3.6146 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -3.3951 -3.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 -1.6723 -3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 -2.1570 -5.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 -4.3333 -4.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 -3.1524 -4.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -3.2152 -5.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 -0.8883 -3.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8627 -0.8751 -5.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 -0.1034 -5.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 1.0114 -5.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 0.8086 -3.7399 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 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 1 0 28 29 1 0 16 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 16 75 1 6 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 49131 1 0 M END