HMDB0298307 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/i-12:0/0:0) 101101 0 0 0 0 0 0 0 0999 V2000 13.9163 2.2913 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 2.4973 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 1.2777 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2171 0.5624 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2534 -0.6374 2.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3285 -1.5180 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3168 -1.7501 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 -1.2231 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8793 -2.2918 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -3.2342 -0.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7396 -2.2983 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 -1.3037 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 -1.5474 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -0.6468 -2.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 0.6992 -1.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 1.7039 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 2.6547 -3.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5658 2.8700 -2.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2555 2.7426 -2.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 2.9245 -1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 1.9406 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.6614 -0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 1.2882 -0.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 0.3289 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0733 -0.1008 -0.0641 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0402 -0.7118 -1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -1.7708 -1.4247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9514 0.9732 -0.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 0.9741 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5061 -0.0887 1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0517 2.1706 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4762 1.9114 0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0474 0.9435 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5105 0.6471 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0733 -0.2979 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5100 -0.6083 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8587 -1.2863 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1635 -2.6341 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5241 -3.3467 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0172 -3.5894 2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9936 -2.7011 3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3841 3.3249 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4816 1.7003 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0822 1.9409 -0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3008 3.2849 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9878 2.9072 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 1.5193 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6755 0.5165 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2501 0.2141 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0820 1.1652 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6297 -1.2119 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2822 -0.1782 2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2984 -1.9868 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5053 -2.4374 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8748 -0.4990 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6727 -0.6449 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.6349 1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -2.5948 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8054 -0.3261 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 -1.5478 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -2.5468 -2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 -0.9284 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 0.8652 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 0.7879 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 1.6011 -3.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 3.3298 -3.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 3.9950 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 2.4043 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 1.7605 -3.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 3.5456 -3.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 3.9364 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 2.8574 -2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 -0.5291 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 0.6797 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 -0.9198 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 -1.0534 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6692 0.1017 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -2.2873 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9932 2.7011 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 2.9108 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 1.4645 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0773 2.8410 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9853 1.3710 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4407 0.0299 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0533 1.6105 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6268 0.2356 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4355 -1.2203 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9708 0.1818 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8256 -1.2722 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0651 0.3571 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6527 -0.6434 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9533 -1.4616 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0859 -2.4913 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4808 -3.2616 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0423 -4.3621 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2205 -4.2764 3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3570 -4.0660 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5267 -2.6084 2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8932 -2.5034 3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4538 -1.7317 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0443 -3.3931 4.2059 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 2 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 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 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 1 0 39 40 1 0 39 41 1 0 11 9 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 1 26 76 1 0 26 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END