HMDB0296560 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/21:0/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 -2.1691 2.7425 -4.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 2.3139 -3.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 0.8437 -2.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 -0.0322 -4.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 -1.4603 -3.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 -2.3231 -3.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -2.2400 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 -3.3967 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 -3.5616 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 -2.3040 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -2.5497 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 -1.4471 2.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -0.6606 2.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 0.3192 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 0.9692 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 2.0121 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 2.6223 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 3.7094 -1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 3.5999 -3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 3.4579 -3.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 4.5877 -2.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 5.5019 -1.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 4.6941 -2.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 5.7918 -1.8489 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0139 6.8211 -3.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 7.1467 -3.5927 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 5.6235 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 4.8439 0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 4.8721 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 5.7064 1.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 3.9600 2.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 4.0508 3.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 3.3084 4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 4.0500 5.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 3.5197 5.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 2.1052 5.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 1.8596 4.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 0.8851 3.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 -0.0849 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 -1.3864 3.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 -2.4891 3.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7081 -2.6754 1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -3.1248 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 -4.3114 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 -5.2404 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -6.4194 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -7.4619 0.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8554 -7.1983 1.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3622 -8.8114 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -8.7030 1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 2.3370 -5.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 2.4916 -3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 3.8701 -4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 2.9109 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 2.4225 -3.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 0.5940 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 0.7577 -2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 0.3665 -4.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 0.2892 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 -1.9323 -4.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 -1.6062 -3.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.3931 -3.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 -3.4055 -3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -1.3681 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 -2.5124 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -3.2878 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -4.3658 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 -4.3928 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 -3.7478 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -1.4545 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -2.1328 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 -3.4371 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -2.9216 2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 -1.8094 3.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.6826 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 -1.3724 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2191 -0.0613 3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 1.2205 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 -0.0867 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3609 0.2326 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 1.5291 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 2.7017 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 1.4456 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 3.0004 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 1.7756 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 3.9900 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 4.6933 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 4.5233 -3.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9053 2.7007 -3.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 3.3764 -4.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7602 2.5116 -2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 6.3991 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 6.2968 -3.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 7.7275 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 7.9509 -3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 6.6564 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 5.2033 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 4.2730 2.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 2.9441 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 5.1186 3.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 3.6929 3.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 3.5189 5.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 2.2503 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 5.1668 5.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3429 4.2926 5.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3637 1.8231 6.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 1.5184 5.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8416 2.5206 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7093 0.7718 2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 -0.1379 2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 0.1096 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 -1.3328 4.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9276 -3.3737 3.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 -3.4392 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -1.7469 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5874 -2.4595 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 -4.5715 -0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 -5.0517 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -6.6396 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 -7.5498 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 -6.7325 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -9.1927 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5281 -9.5406 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1699 -9.2565 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 -9.0748 2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 -7.6599 1.9413 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 1 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 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 24 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 6 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END