HMDB0047835 RDKit 3D TG(14:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 5.2992 3.8569 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 3.5208 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3099 4.3000 -1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8479 3.7679 -2.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0157 2.3090 -2.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 2.0525 -3.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0892 1.5382 -4.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 1.0947 -5.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8118 -0.3525 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -1.3415 -5.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5525 -1.2763 -5.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -2.1239 -4.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 -1.6820 -3.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -0.2853 -3.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 -0.1585 -3.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.3248 -2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 0.7886 -1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1918 0.1420 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -1.3184 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 -2.0733 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 -2.6756 -2.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -2.1532 -1.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5843 -2.8954 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 -2.9717 -2.7494 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5873 -1.7318 -3.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -0.8396 -2.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 0.3367 -2.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 0.5422 -3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 1.3403 -1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 2.3354 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 1.7764 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 1.1543 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 0.5759 1.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 1.6241 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0663 1.1643 3.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.6649 4.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -0.5299 4.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -1.5490 4.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -2.8336 3.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -2.6774 3.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 -4.0724 2.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -3.5831 -1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -4.7298 -1.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -5.2272 -3.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -5.4723 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 -5.0339 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 -3.6517 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -3.4873 1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -2.0821 1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -1.9419 3.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 -0.5898 3.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -0.6479 5.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 0.4120 6.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 1.7442 6.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 2.7186 5.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9394 3.1542 5.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 4.2376 4.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 3.8767 2.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 2.7577 2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5695 2.4883 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8238 3.7075 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2485 4.1608 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1973 3.0899 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 3.0653 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 4.8022 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 4.0188 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 3.9084 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 2.4497 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2407 5.4073 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 4.4609 -3.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 2.0268 -3.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6163 1.7428 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0834 2.3388 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 1.4077 -4.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 1.6289 -6.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 1.1736 -5.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9202 -0.5377 -5.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4632 -2.3446 -5.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1302 -0.2873 -5.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 -1.7660 -6.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 -3.2192 -4.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -2.4270 -3.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0446 0.0798 -2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 0.3559 -4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 -0.5055 -4.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3878 -3.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 1.9127 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 0.8683 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 0.4929 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 0.6235 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.5785 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -1.7415 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 -2.5029 -3.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -3.9408 -2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 -3.7199 -3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -1.2017 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -2.0274 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7361 1.9471 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 0.8382 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3097 3.0885 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 2.9533 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 0.9620 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 2.5536 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 0.2734 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 1.8267 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -0.1880 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 0.0764 2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 2.4917 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4509 2.0430 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 0.4747 2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 2.0940 3.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 1.3889 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 -0.8011 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 -1.8215 5.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1111 -1.2254 3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -3.2539 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -3.6309 3.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -2.0737 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 -2.3522 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -4.5626 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 -4.6796 3.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -3.9719 2.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -6.5543 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4152 -5.4560 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 -5.0667 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -5.7815 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -3.5149 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2619 -2.8847 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -3.5433 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5274 -4.2015 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -1.3035 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 -1.9312 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -2.7238 3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 -2.0685 3.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 0.1572 3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 -0.5300 3.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 -1.0292 5.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 -1.5852 5.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -0.0009 7.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 0.4956 6.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 2.2528 7.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 1.6589 6.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 2.3454 4.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 3.6633 5.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6376 2.3016 4.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 3.5152 6.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 5.0621 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2641 4.6682 4.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 4.7977 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 3.6519 2.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9663 3.0449 2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8054 1.8489 2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 1.5946 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4465 2.3242 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1624 4.5590 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6291 3.4662 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3681 5.0274 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5149 4.5465 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9875 3.5333 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 2.6519 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7052 2.3144 -1.0406 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 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 2 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END