HMDB0285076 RDKit 3D PE(DiMe(9,5)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 133133 0 0 0 0 0 0 0 0999 V2000 -13.2269 -2.6637 -1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7742 -1.2758 -1.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3954 -0.3639 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9866 -0.9592 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6705 -0.1251 1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1903 -0.0513 2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5097 1.0296 1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2331 0.8289 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1811 1.8578 1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5275 1.5238 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4887 2.5306 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3882 2.5555 1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 3.5876 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 3.7834 1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3614 2.5059 1.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 2.0159 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 0.8084 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.4670 1.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 0.0323 -0.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -1.0935 -1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -0.9890 -1.2576 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5324 0.2004 -2.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 1.3832 -1.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 2.7703 -2.3516 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6062 2.5983 -3.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 3.8967 -1.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 3.4874 -3.1449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 4.8842 -3.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 5.5520 -3.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 6.9842 -3.8524 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 -2.1561 -1.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 -3.0042 -1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -2.7042 -0.2275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -4.2152 -2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 -4.7711 -1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -3.6901 -2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 -4.1449 -1.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5394 -3.6359 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2995 -2.4959 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 -1.3821 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 -0.8755 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5681 -1.3036 1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8910 -1.8358 1.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 -2.0804 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8717 -1.9074 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 -1.0170 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6717 -0.2333 -0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9887 -0.0654 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4223 -0.4731 0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6330 -0.2696 2.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4125 1.0803 2.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0185 -0.7053 2.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0556 0.0925 1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0574 -0.4420 2.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7615 -1.0899 2.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3040 -1.0187 2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6492 -2.3771 2.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8848 -3.1474 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3996 -2.5777 -0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0531 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42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 8 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 6 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 20 85 1 0 20 86 1 0 21 87 1 1 22 88 1 0 22 89 1 0 26 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 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 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 1 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 55128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 M END