HMDB0267746 RDKit 3D PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-16:0) 118117 0 0 0 0 0 0 0 0999 V2000 14.7650 0.1912 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3775 0.6202 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0932 2.0222 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7717 2.5071 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6461 1.6597 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 1.6062 2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 2.0144 2.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3390 2.5663 2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 1.6429 2.5953 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0072 2.1343 2.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 0.3020 2.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -0.3203 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 -1.6438 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -2.3099 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 -1.7610 -1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1963 -1.6837 -2.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5965 -2.3300 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -3.1913 -3.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -2.6047 -4.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9303 -1.2159 -3.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 -1.2598 -2.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 -2.3755 -1.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -0.1555 -1.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 -0.0169 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 -0.6245 -0.0452 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1705 -2.1109 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.4302 1.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -4.0637 1.3928 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7410 -4.3644 1.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 -4.3893 2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -5.0515 0.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -0.2138 -0.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 0.3500 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 0.4838 0.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 0.7797 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 0.6817 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6052 -0.7707 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8576 -1.1364 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1025 -0.7872 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3429 -1.2357 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5701 -0.8887 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7774 0.5767 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9196 1.3416 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0874 0.8853 1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4153 1.0265 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 2.4692 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0012 2.5584 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0365 2.0239 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2947 4.0425 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4963 0.5035 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9482 0.6524 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7563 -0.8978 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -0.1300 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3883 0.4896 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0771 2.0359 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8719 2.7016 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5839 3.5627 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.4521 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7392 1.9510 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8325 0.5941 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4530 1.1987 2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 1.9438 3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 3.5446 2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3517 2.8394 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 1.6285 3.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2359 2.7275 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.2010 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1539 0.2627 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -2.0834 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -3.3004 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 -0.7547 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -2.3547 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0932 -1.0381 -2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 -2.2295 -4.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -4.1834 -3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 -3.5042 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -3.2847 -4.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 -2.5680 -5.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -0.5172 -3.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 -0.7712 -4.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.3769 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 1.1020 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -0.2000 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7513 -2.2594 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 -2.7465 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 -4.8967 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 -4.5745 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 1.8631 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 0.2246 -2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 1.1082 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 1.3104 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -1.0689 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 -1.3332 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 -2.2299 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -0.6150 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1559 0.2994 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0045 -1.2964 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3245 -2.3655 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3606 -0.9156 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4325 -1.3463 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4242 -1.4092 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9150 0.9864 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6678 0.7870 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0167 1.2457 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0247 2.4085 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9384 -0.1379 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1422 1.5582 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5354 0.3553 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1933 0.7407 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7421 3.0991 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8565 2.9354 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9347 2.0417 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0363 2.5312 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2076 0.9537 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7012 2.2511 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9839 4.5886 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7902 4.4234 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4082 4.1378 -0.3532 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 1 0 9 10 1 0 9 11 1 0 11 12 2 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 1 10 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 30 86 1 0 31 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 48113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END