HMDB0299064 RDKit 3D DG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0/i-15:0) 108107 0 0 0 0 0 0 0 0999 V2000 15.9495 3.1773 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2163 2.8594 2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1674 2.6623 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2279 1.5321 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 0.3532 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6730 0.0218 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3728 -0.0344 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 0.2313 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6747 -1.0325 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5350 -2.0997 1.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8654 -1.3346 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5721 -0.9760 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8639 -1.3175 -1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 -1.0052 -2.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -0.2707 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 -1.1020 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -0.7541 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 0.5087 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 1.3213 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 0.5766 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.2618 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 0.6994 -2.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -0.5743 -1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9081 -0.9445 -2.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 -1.8772 -1.4653 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2029 -2.9422 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -1.1627 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4884 -2.0443 0.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -1.5844 1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2403 -0.3720 1.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -2.4856 2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -2.8597 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -1.6266 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2078 -1.9718 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9019 -0.6773 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0604 -0.9537 -1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8000 0.2706 -1.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4133 1.0385 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3943 0.1720 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9985 0.9378 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7523 2.1573 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8784 1.7213 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6635 2.9160 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7260 0.7019 0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2695 2.8291 4.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0925 4.2649 3.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9425 2.6943 3.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4422 2.1267 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6779 3.8313 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8565 3.4946 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9586 1.4342 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8548 0.3185 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1659 -0.5047 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2988 -0.1926 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8856 -0.2965 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7134 0.9769 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 0.6488 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 -0.8601 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2675 -2.9103 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2935 -1.8694 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 -0.4492 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4033 -1.8648 -2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 -1.3144 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5504 0.7370 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3758 -0.1183 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 -2.0691 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 -1.4662 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 0.2056 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 1.1163 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8051 1.5362 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 2.2386 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 1.1737 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 -0.3604 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 -0.0079 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 -1.4164 -2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -2.2419 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 -2.5818 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 -0.2816 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 -0.7760 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 -3.3886 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5134 -1.9851 3.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8866 -3.3405 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9565 -3.5865 1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4940 -1.1614 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4049 -0.8723 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8307 -2.4840 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9318 -2.5888 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1693 -0.0119 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3066 -0.1752 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6321 -1.4159 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7589 -1.6909 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1876 0.9698 -2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6292 -0.0576 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6673 1.5127 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0032 1.8666 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8800 -0.7127 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1205 -0.2296 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1941 1.2359 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6556 0.2481 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2341 2.6618 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0592 2.8533 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4647 1.2226 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2464 3.8812 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7006 2.8029 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6997 2.9906 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7321 0.6875 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7712 0.9279 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3144 -0.3223 0.3779 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 1 0 9 11 1 0 11 12 2 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 25 27 1 0 27 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 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 M END