HMDB0285080 RDKit 3D PE(DiMe(9,5)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 133133 0 0 0 0 0 0 0 0999 V2000 -14.0021 2.6256 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4265 1.3725 -1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4896 0.2003 -1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3739 -0.1654 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5105 -1.3619 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1221 -1.2461 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1197 -0.8815 0.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9760 -0.8597 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 -0.4872 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2031 0.8481 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9207 1.3003 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 1.4082 2.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0062 1.8730 2.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6976 1.2174 2.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6076 -0.1889 3.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 -1.2491 2.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 -1.3084 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 -1.9884 0.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -0.5911 1.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 -0.6529 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 0.2099 0.4952 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3040 1.6955 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 2.3465 0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 4.0026 0.9731 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5924 4.7458 0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 4.3170 0.4086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 4.5419 2.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 3.5723 3.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.9913 4.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 2.9073 5.7948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 0.1012 -0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -0.2605 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -0.4867 1.0522 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -0.3633 -1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 -1.7724 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0127 -2.6931 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 -2.3046 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -3.0364 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -4.3441 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 -4.6204 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -3.7912 -1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.3237 -1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4528 -1.7536 -2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.9702 -3.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5800 -0.6214 -2.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8825 -1.0952 -2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8730 -0.2777 -3.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8033 1.1850 -2.8560 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7259 1.7699 -3.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2674 1.6590 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5207 1.1244 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1150 1.7217 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5740 1.3630 1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2271 -1.2283 -1.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3026 -1.3560 -2.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6004 -1.4713 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 -1.9274 -2.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3381 2.6797 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5030 3.5105 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9087 2.8294 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4517 1.5633 -2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4555 1.0922 -1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8623 -0.6504 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4614 0.5010 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3609 -0.2428 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8951 0.7340 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5169 -1.5188 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9898 -2.2808 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7813 -0.6284 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9242 -1.2654 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9503 0.8342 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9971 1.6094 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0802 0.6387 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6823 2.3023 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 0.4982 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9322 2.2455 2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 1.9301 4.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 2.9876 2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 1.8219 3.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 1.3923 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 -0.4671 3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 -0.3491 4.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -1.1740 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 -2.2652 2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.3319 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -1.6980 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 -0.0471 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 1.7771 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8568 2.0689 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5936 4.4768 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 2.5965 3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 3.3637 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 4.8372 5.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 4.2421 5.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 2.9674 5.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 2.0330 5.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 0.3214 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 0.0763 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 -1.7930 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 -2.2118 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 -2.6064 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -3.7112 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 -1.3226 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 -2.6260 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6621 -5.0907 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 -4.7674 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -5.7096 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2311 -4.1876 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4941 -2.1417 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 -1.8409 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6423 -1.9821 -3.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 -0.5738 -4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6195 0.5258 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 -0.7661 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0405 -2.1856 -2.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8419 -0.6708 -3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8470 1.6284 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5712 1.2735 -3.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3387 1.3748 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1821 2.7796 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4536 1.4364 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 0.0242 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9952 2.8245 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5341 1.3746 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6838 0.3188 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8509 1.4809 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 1.9940 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8725 -0.3660 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8244 -1.7085 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4959 -2.1218 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7340 -2.7070 -3.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2855 -2.4021 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4746 -1.0302 -3.4405 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 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 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 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 6 49118 1 0 50119 1 0 50120 1 0 51121 1 0 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