HMDB0293279 RDKit 3D CDP-DG(i-12:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 138139 0 0 0 0 0 0 0 0999 V2000 -2.8557 2.3403 1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3449 2.4233 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7982 2.2425 3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 0.9025 3.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9101 0.8142 5.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2162 1.7982 5.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 1.4627 6.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 0.0879 7.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 -0.2226 8.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 0.7578 9.1694 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5149 1.8138 9.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.1987 8.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 -0.0216 8.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -0.4783 7.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 0.1674 5.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 0.4767 5.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -0.0460 3.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 0.1507 3.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7870 1.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -0.0367 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 0.5299 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 1.4718 -0.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 0.1108 -1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 0.6723 -2.4759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6835 1.6089 -2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 2.0887 -3.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 3.0584 -4.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 3.4988 -3.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 3.5612 -5.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 5.0294 -5.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 5.7948 -5.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 5.6746 -3.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 6.4651 -3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 7.9268 -3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 8.6346 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 8.4171 -1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 9.1338 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 8.5878 -2.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 8.9366 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -0.2765 -3.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -1.2156 -3.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -2.2961 -4.8021 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6534 -2.0269 -5.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -2.2140 -5.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 -3.8932 -4.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 -3.8522 -2.5739 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2127 -2.8849 -2.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -3.4259 -2.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 -5.3632 -1.9494 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 -5.7054 -2.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 -7.0775 -1.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8495 -7.0226 -0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 -8.2423 0.1924 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7933 -8.0015 1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 -7.8389 2.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -7.5994 3.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8752 -7.5104 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -7.2580 3.7776 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -7.6728 1.5504 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -7.9062 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -8.0448 -0.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 -9.0883 -0.9947 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1466 -10.0404 -1.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -8.1426 -2.1623 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0205 -8.7186 -3.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 2.0203 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5531 1.7677 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 3.3990 1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 1.6051 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 3.3642 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2896 3.0246 3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 2.3645 3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 0.0433 3.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 0.7777 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8041 -0.2125 5.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0247 1.0421 5.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 2.8641 5.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 2.2555 7.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 -0.7316 6.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -1.2904 8.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 0.2207 10.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 1.7918 10.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0802 1.8067 9.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 1.8576 7.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -0.5535 9.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 -1.4275 7.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -0.4965 5.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2019 1.1091 5.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 1.1064 5.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 -0.6957 3.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -0.8829 2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 0.7063 3.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 0.8773 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 1.8274 1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -0.0076 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -1.0809 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3967 1.4148 -2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 1.0472 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 2.3740 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 3.0703 -6.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7353 3.1872 -6.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 5.2047 -6.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 5.4630 -5.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 6.8698 -5.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3074 5.4079 -6.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 6.0535 -3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 4.6379 -3.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 6.2900 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 6.0580 -4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 8.2049 -4.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 8.3821 -3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 9.7160 -3.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 8.1673 -3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 8.7997 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6618 7.3418 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 10.1982 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 8.3009 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 9.3305 -2.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 7.6657 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2925 9.9247 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 8.3049 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 8.4854 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -0.7390 -3.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3313 0.3204 -4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -2.7974 -5.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -3.3977 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 -4.9787 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -5.6125 -3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -7.2702 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -8.7414 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -7.9047 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 -7.4649 4.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7158 -7.1465 4.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9054 -7.1790 3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -9.6772 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -9.8940 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -7.7836 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 -8.6392 -2.9968 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 37 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 2 0 59 60 1 0 60 61 2 0 53 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 51 1 0 60 54 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 9 80 1 0 10 81 1 1 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 1 53130 1 1 55131 1 0 56132 1 0 58133 1 0 58134 1 0 62135 1 1 63136 1 0 64137 1 6 65138 1 0 M END