HMDB0296654 RDKit 3D DG(20:3(8Z,11Z,14Z)-O(5,6)/0:0/22:0) 131131 0 0 0 0 0 0 0 0999 V2000 18.7322 -1.4367 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3536 -2.0443 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4414 -1.1257 -0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0596 -1.7527 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0503 -0.9447 -1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4656 0.2654 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5254 0.8770 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1942 0.5659 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4264 0.3692 2.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1670 0.3552 2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 0.5343 1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2665 1.7379 2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.6509 2.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 0.3816 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 0.3121 1.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 1.3527 1.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 1.3467 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 1.1090 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6942 0.8852 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 0.6319 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 0.4428 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 0.2294 -1.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.4932 0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 0.3610 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 1.2098 1.4380 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3839 2.5894 1.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 0.8387 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -0.4201 0.7128 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 -1.6600 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -1.8967 -0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -2.8786 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -2.6325 1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 -1.7365 1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3566 -1.9952 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8741 -1.9983 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -0.7666 -1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0222 0.5001 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2702 0.6112 -2.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -0.1882 -2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 -0.0322 -3.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1626 1.3739 -3.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4476 1.9669 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4498 1.2426 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7686 1.1722 -1.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7724 0.4104 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1013 0.2745 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0788 -0.4682 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5736 -0.0005 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6848 0.2329 1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8685 -0.9298 2.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0401 -0.4278 3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8231 -0.5255 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5117 -2.1931 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8424 -1.0949 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9098 -2.3326 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4626 -3.0046 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 -0.0988 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8802 -1.0530 -1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2804 -2.7165 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7410 -2.1725 0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5527 -0.6476 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2279 -1.6366 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7938 0.8463 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 1.8975 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9853 -0.2382 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8771 1.4805 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0611 0.1939 3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8335 0.1868 3.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 -0.4133 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3959 0.5909 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 2.7384 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 2.5983 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7045 0.4122 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -0.5302 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -0.6660 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6108 2.2597 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 2.0149 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 0.2541 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.0443 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 1.7733 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 1.4756 -2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 -0.2782 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -0.7134 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 0.5720 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 1.2285 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 2.7236 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9949 1.5385 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.0788 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -3.4752 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -3.4944 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8545 -3.6671 1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9858 -2.3383 2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1937 -1.6493 2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -0.6853 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7866 -3.0554 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3305 -1.3913 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 -2.7608 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 -2.5836 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -0.5711 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 -1.0659 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 1.3378 -2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3053 0.8709 -0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6131 1.7073 -2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 0.4060 -3.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1513 -1.2277 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6677 0.2961 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -0.3444 -4.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4305 -0.7485 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 1.9989 -3.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1209 1.3745 -3.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8663 2.9999 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5224 2.1567 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1098 0.2538 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6289 1.8659 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2105 2.1766 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7287 0.6744 -2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7655 0.8482 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2907 -0.6076 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9397 -0.3182 -2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4981 1.2472 -1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7162 -1.5651 -0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0187 -0.6382 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2586 0.9074 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3414 -0.7860 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4364 0.3763 2.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1254 1.1580 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1406 -1.2360 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4781 -1.8013 2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6950 0.0539 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3729 0.3764 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3649 -1.1920 3.8622 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 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 43 44 1 0 44 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 17 15 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END