HMDB0298247 RDKit 3D DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/a-25:0/0:0) 141140 0 0 0 0 0 0 0 0999 V2000 -17.5399 -3.0689 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4604 -2.9644 1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7253 -1.5991 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8795 -0.4729 1.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4681 -0.4080 2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4953 -1.4307 1.6636 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2373 -0.9846 2.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2969 -1.6298 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6781 -0.6998 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4681 -0.8772 -1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8851 -0.0293 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3175 1.2453 -2.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3545 1.8916 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3228 2.1850 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9772 1.8507 -0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9469 2.1799 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5449 1.8323 -0.4156 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5996 0.6705 -1.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7138 1.7243 0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2717 0.7015 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3407 -0.6965 1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0893 -1.3716 1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1432 -2.5556 0.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -0.8259 1.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 -1.6396 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -1.0221 1.0338 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1997 -0.4454 2.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 0.5439 2.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 0.0813 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 0.0428 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 -0.9789 -0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 1.0810 -1.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 2.0898 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 1.4651 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 0.7868 -1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1343 1.4868 -2.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 2.6000 -1.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 2.1481 -0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9627 3.2996 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 2.9554 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 1.7794 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 1.7863 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4966 0.4418 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4981 0.4002 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5527 1.4257 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4678 1.6266 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4128 0.5772 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7907 -0.6369 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 -1.6863 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6266 -2.4053 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8310 -1.6028 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9801 -2.2142 -0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0920 -1.1398 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5925 -3.4120 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7217 -4.6105 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4811 -3.5853 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5864 -2.0406 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7136 -3.6684 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2986 -3.6412 2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5431 -3.4240 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7907 -1.6451 3.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8096 -1.3210 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9387 -0.2698 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3540 0.4935 2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4544 -0.2973 3.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0904 0.6234 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6019 -2.4249 2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3202 -1.1961 3.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6319 -2.5106 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3456 0.1461 0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8511 -1.8276 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8005 -0.3363 -3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2526 1.3025 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8335 1.9708 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3304 2.2307 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4851 2.6936 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7160 1.3521 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1742 2.6779 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1021 2.6693 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2464 0.7940 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8026 2.7130 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6588 1.5807 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3469 1.0218 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 0.7965 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -0.7940 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8113 -1.2903 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -1.9027 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 -2.5913 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.7101 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 0.0171 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 -1.2179 3.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 1.0618 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 0.6673 -2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 1.6617 -2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3374 2.9920 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 2.4276 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 2.2062 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 0.6991 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.0661 -1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 0.1795 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 1.8250 -3.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 0.7219 -2.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6223 3.0145 -2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 3.4331 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 1.9734 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6508 1.2976 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4268 4.2271 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 3.5532 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 3.8696 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 2.8897 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 0.8039 0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3876 1.6775 1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2710 1.8085 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4932 2.5626 -0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -0.3123 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8629 0.2543 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7653 -0.6313 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 0.6724 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.4016 -2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9986 2.4303 -1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9521 2.0411 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1253 2.5300 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1070 1.0277 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 0.2903 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2352 -1.1329 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9659 -0.3196 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8956 -1.2692 2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7554 -2.4752 1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2752 -2.8565 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8480 -3.3222 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7027 -0.5723 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2145 -1.3665 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6836 -2.3862 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4775 -0.8643 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7342 -0.2413 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9009 -1.5931 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8980 -3.1048 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5697 -3.6499 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8694 -4.5740 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3521 -5.5133 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4609 -4.8294 1.2091 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 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 27 28 1 0 26 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 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 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 1 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 6 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 6 27 90 1 0 27 91 1 0 28 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 53134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 55141 1 0 M END