HMDB0277677 RDKit 3D PI(20:4(8Z,11Z,14Z,17Z)/18:3(9,11,15)-OH(13)) 139139 0 0 0 0 0 0 0 0999 V2000 -2.9743 -0.5851 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -0.5448 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 -1.0490 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -0.3390 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5283 1.0598 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 1.9019 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5873 2.9299 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 3.3671 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 3.3501 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 4.4187 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 5.7816 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 6.3200 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 6.6889 -2.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 6.6009 -2.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9505 5.7247 -3.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 5.5640 -3.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 4.7424 -4.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 4.5082 -4.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 3.7523 -6.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 2.4460 -6.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 2.3771 -6.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 1.2270 -5.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 0.0113 -5.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -1.1651 -5.3265 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7104 -2.4027 -5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 -2.6155 -7.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -4.0179 -7.2148 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7600 -3.6310 -7.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 -5.0609 -8.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 -4.7280 -5.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 -4.9396 -5.4654 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2368 -6.4229 -5.3146 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5122 -6.8153 -5.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -6.8491 -3.9359 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5295 -6.5985 -3.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -6.1919 -2.8448 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4662 -7.0771 -2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 -4.9891 -3.3941 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7726 -4.2056 -2.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 -4.1989 -4.1876 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2500 -4.1278 -3.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6172 -1.0489 -3.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 -0.9320 -3.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 -0.9218 -3.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -0.8181 -1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0655 -0.6202 -1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 -0.5123 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 -1.7418 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 -1.4967 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 -2.7307 3.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -2.5295 4.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -1.4188 4.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -1.5886 5.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 -0.4824 5.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -0.6716 6.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 0.4745 6.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 0.8780 5.3037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 0.1657 7.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8386 1.2957 7.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 1.9212 8.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 3.0646 9.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 4.3172 9.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 0.4397 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -1.0484 -1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 -1.2140 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 0.4933 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 -1.1567 -1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -2.0832 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -0.7849 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 0.9919 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 1.4081 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 1.6126 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 3.4849 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 4.3683 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 2.7610 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 2.3871 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 4.2547 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 6.4153 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 5.8975 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 6.3963 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 7.1022 -2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 7.6224 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 6.3445 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 6.1574 -4.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3975 4.7203 -3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 6.5451 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9814 5.1168 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 3.8008 -4.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 5.3434 -5.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 3.9863 -3.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 5.5245 -4.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 4.4005 -6.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 3.7369 -6.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.1431 -7.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 0.0195 -5.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -1.2032 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -2.3673 -5.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -3.3300 -5.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -5.7924 -8.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -4.5445 -6.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 -6.9535 -6.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -7.4642 -5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 -7.9544 -3.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 -7.0641 -4.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 -5.7472 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -7.2227 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -5.2974 -4.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 -4.8184 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7134 -3.1980 -4.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 -3.3567 -2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 -1.8212 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0223 -0.0517 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.4424 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5516 0.3152 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -0.2924 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2221 0.3540 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 -1.8158 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8341 -2.6600 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 -0.6601 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0711 -1.2672 2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -3.0645 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 -3.5290 3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.4584 5.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -2.2339 5.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 -0.4406 4.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -2.5651 5.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 0.5030 5.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 -1.6648 6.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 1.3177 6.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 0.1726 4.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -0.0327 8.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4867 -0.7354 7.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 1.6759 6.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 1.6114 9.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 3.2909 8.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6373 2.7891 9.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 4.9334 10.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 4.0014 10.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8075 4.8721 8.6451 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 40 31 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 6 32101 1 6 33102 1 0 34103 1 6 35104 1 0 36105 1 1 37106 1 0 38107 1 6 39108 1 0 40109 1 6 41110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 53126 1 0 54127 1 0 55128 1 0 56129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 62139 1 0 M END