HMDB0286863 RDKit 3D PC(PGJ2/18:4(6Z,9Z,12Z,15Z)) 132132 0 0 0 0 0 0 0 0999 V2000 -1.7040 3.5642 3.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 3.7681 4.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4955 4.6180 3.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 4.3040 3.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 2.9918 3.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 3.3339 4.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 3.0012 5.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 2.1862 6.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 1.4365 6.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 0.1150 6.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 -0.7733 6.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -2.0157 6.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -2.3628 5.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6484 -1.3680 5.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 -1.2731 3.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -1.1877 2.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -0.1190 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -0.4251 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 -1.2856 0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 0.2375 1.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.0020 0.8331 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4396 1.2939 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 1.6619 -0.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8317 2.8163 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 3.5314 -1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 3.2420 -1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 2.6422 -3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 1.1106 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 0.6707 -4.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -0.1559 -5.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7959 -0.7617 -4.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 -0.4016 -5.5645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5907 -1.0657 -5.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 -0.1839 -4.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 1.1234 -4.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 2.0939 -3.5859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 1.0686 -5.5043 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4157 1.5560 -6.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 2.1001 -6.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 2.6099 -7.8238 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5763 3.0702 -8.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 1.5403 -8.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2996 1.0712 -7.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1712 2.1702 -6.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 1.6682 -5.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0527 0.6052 -6.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -0.4500 1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -0.7174 0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 -1.2336 1.4513 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6202 -1.7083 2.8423 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 0.0334 1.5298 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7140 -2.5173 0.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 -3.5232 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 -4.6114 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 -5.7274 -0.7407 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7811 -5.3114 -1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 -6.8766 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -6.1040 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4897 3.2878 3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 4.5265 2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 2.7945 2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 4.2962 5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 2.7845 4.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 5.6149 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 4.9889 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 2.2368 3.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 2.6126 2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3113 4.0110 3.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0407 3.4392 5.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 2.8332 7.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 1.4633 6.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 1.9203 5.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 -0.3290 6.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -1.1549 7.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -0.2671 7.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 -2.8085 6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 -3.3272 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 -0.3751 5.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 -1.7762 5.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -2.0746 3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 -0.3213 3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -1.2971 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -2.1706 2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 -0.1948 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2338 0.8923 2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -0.7774 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 1.2229 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 2.1014 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 4.3608 -1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.0448 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 2.9521 -3.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3146 3.0332 -3.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 0.7600 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 0.8937 -2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 1.0776 -4.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -0.4109 -6.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 -0.6515 -3.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -1.8864 -4.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8017 -0.7201 -6.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -2.1344 -5.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -0.4252 -3.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 1.7009 -5.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 1.4569 -7.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0868 2.1843 -5.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 3.4674 -7.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 2.6860 -9.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 0.6829 -8.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 1.9225 -9.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9696 0.3158 -7.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7817 0.5298 -6.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 2.9057 -6.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7297 2.6607 -7.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7269 2.5233 -5.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5701 1.2471 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8871 0.5130 -5.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5519 0.9263 -7.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5849 -0.3883 -6.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 0.4083 2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -1.3639 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -3.0731 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4716 -3.8752 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 -4.2326 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 -4.9846 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 -5.1444 -2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -4.3185 -1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -5.9990 -2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -7.7509 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 -6.6806 -2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2397 -7.0603 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -7.0428 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 -6.4026 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8287 -5.3649 0.3637 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 2 0 18 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 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 37 32 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 6 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 6 33100 1 0 34101 1 0 37102 1 1 38103 1 0 39104 1 0 40105 1 1 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 56124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 58132 1 0 M CHG 2 51 -1 55 1 M END