HMDB0268316 RDKit 3D PA(i-21:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 133132 0 0 0 0 0 0 0 0999 V2000 21.5294 0.5024 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2263 0.3733 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9897 -1.0568 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9189 -1.7051 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8081 -1.0914 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6146 -1.7388 1.8974 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3424 -3.0924 1.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4461 -1.0387 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2821 -0.9403 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1326 -0.2599 2.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9647 -0.1912 1.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 0.4863 2.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6328 0.5897 1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3669 0.0206 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 0.0949 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 0.7925 0.5212 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6923 1.7947 -0.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -0.1958 0.7153 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3621 -1.1074 1.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 -0.9589 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -0.2065 -1.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1259 0.5952 -1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8692 -0.1952 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -1.4077 -1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 0.4416 -1.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -0.2155 -1.6697 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7986 -0.4887 -3.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -1.0483 -3.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -0.5330 -2.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 0.6860 -2.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -1.3528 -2.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -0.6298 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 0.0187 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6395 0.7581 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8340 -0.1321 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 0.7163 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2983 -0.1805 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5842 0.6098 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7617 1.2509 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7676 0.5425 1.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7144 -0.4685 1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9084 -1.7831 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3422 -2.1299 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5993 -1.9673 -0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3856 -0.7386 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0923 -0.3051 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8090 1.0138 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5370 1.4414 1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2428 2.7658 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6057 0.4316 1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 0.3289 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 0.3087 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0992 0.9827 1.6632 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4071 0.2368 1.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 0.8967 3.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 2.6003 1.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2896 0.1041 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8308 1.5683 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2762 -0.1124 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3298 0.9623 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4563 0.7947 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7693 -1.6303 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 -2.7859 -0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8804 -1.3376 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7831 -0.0058 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5221 -1.6225 2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4542 -3.2829 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5808 -0.5886 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1659 -1.4060 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2156 0.2089 3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9352 -0.6778 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9503 0.9442 3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 1.1356 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2143 -0.5374 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2002 -0.4119 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2692 1.3152 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2303 2.6022 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 0.2739 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5902 -0.5275 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 -1.6371 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8731 -1.7116 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 -0.9579 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 0.3746 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 1.0648 -2.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 1.4424 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 -1.2670 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 0.5155 -3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -1.0659 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9755 -1.9905 -3.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 -2.0899 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 -1.4091 -2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4656 0.0640 -3.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5376 0.7879 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 -0.7044 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6812 1.5805 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 1.1903 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8961 -0.8787 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8673 -0.7044 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1312 1.2772 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0403 1.4519 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2898 -1.0437 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2489 -0.5868 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4144 0.0566 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4650 1.4994 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7850 1.8014 0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0805 2.1912 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7210 0.0581 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7491 1.3500 2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7128 0.0316 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4052 -0.6664 2.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9381 -2.3885 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6334 -2.3695 1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4958 -2.0079 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2137 -3.3571 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4565 -2.3894 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3428 -2.7871 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1070 -0.8247 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7104 0.1184 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4866 -0.2351 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9427 -1.0631 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5030 0.9766 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0733 1.8267 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8653 1.5767 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9859 2.9848 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8174 2.7409 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5140 3.6070 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1531 0.8223 2.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2128 -0.5594 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3869 0.3689 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -0.3212 -0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 1.3644 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 0.6051 3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 3.1351 2.0443 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 48 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 1 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 1 17 77 1 0 18 78 1 1 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 1 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 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 55132 1 0 56133 1 0 M END