HMDB0056307 RDKit 3D DG(18:3n6/0:0/22:5n3) 116115 0 0 0 0 0 0 0 0999 V2000 12.5871 -0.7061 -2.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7712 -1.3955 -2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9509 -0.5323 -2.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6199 -0.0916 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2456 -0.4349 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9912 0.8120 0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9660 1.2008 1.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6966 0.5419 1.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4189 -0.7954 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4215 -1.0836 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4403 -0.1084 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1139 -0.5592 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2941 0.1038 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5373 1.4273 1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 2.5537 1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6866 2.6218 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 1.5601 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 1.3246 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 0.2393 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 -0.0773 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.1436 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3652 0.7486 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 0.4528 -0.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 0.6950 1.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2033 0.3620 2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -1.0672 2.0723 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5298 -1.8848 2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0664 -1.5848 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 -0.8342 0.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2983 -0.7024 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4541 -1.2666 1.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4017 0.0773 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -0.7075 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9948 -1.8618 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8651 -1.6612 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1091 -1.0147 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9195 -0.4858 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6629 -0.4645 -1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6103 0.9573 -1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3698 1.4494 -2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3575 0.7121 -3.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7004 1.3217 -2.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7872 0.7344 -2.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9040 -0.6673 -2.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4963 -0.9600 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8931 -0.4640 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7668 1.0056 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1414 1.3205 1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3784 0.2396 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 -0.5394 -3.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7084 -1.3760 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4767 -1.8786 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0230 -2.2512 -2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3599 -0.1873 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5061 0.5655 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1605 -0.9712 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4814 -1.1768 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8549 1.5687 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 2.2588 2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8661 1.2678 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5355 0.4917 3.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0605 -1.6646 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2845 -2.1286 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4545 -0.3209 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6829 0.9331 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8098 -1.5604 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 -0.3953 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 1.3239 2.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6149 1.7131 1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 3.5371 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 3.6375 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 0.6310 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9713 2.0535 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 0.9768 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 2.2920 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.5835 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 -0.6680 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -0.5237 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -0.8607 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 1.4271 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 1.9709 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 0.6065 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 0.9934 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 -1.2826 2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -2.2044 1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 -2.5852 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -1.8822 0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 0.8955 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0112 0.6025 1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9115 0.0105 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6159 -1.1705 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 -2.4766 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3272 -2.5816 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9138 -2.7296 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1551 -1.1894 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5169 -0.9249 2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8729 0.0170 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6479 -0.8963 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9244 -1.1234 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 1.6499 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2648 2.5478 -2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3618 -0.3587 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0477 0.9585 -4.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7993 2.4221 -3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7066 1.3727 -2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9054 -1.2086 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4730 -1.1984 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5734 -0.5958 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6237 -2.0950 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5780 -0.8320 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9251 -0.9507 0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7944 1.4436 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1616 1.5230 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2855 2.0136 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8917 1.7685 2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7580 0.3810 2.3677 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 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 1 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END