HMDB0262726 RDKit 3D PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/10:0) 102101 0 0 0 0 0 0 0 0999 V2000 15.9591 0.0063 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4497 0.9567 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2135 0.4967 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0629 1.1365 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8844 2.4360 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7987 2.2975 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2038 1.3490 1.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5077 1.9181 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0965 0.6768 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 0.3726 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3938 -0.8366 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -1.1020 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.1336 -1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 0.5618 -1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -0.0419 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 -1.2744 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 -2.3704 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 -2.5849 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -2.9709 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 -2.3108 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -1.0680 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 -1.1632 -1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 -1.4605 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5874 -2.6210 -0.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -0.4979 0.4889 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -0.5061 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -0.7666 0.8198 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5344 -2.1778 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -3.0854 1.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5585 -4.6596 1.0230 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3912 -5.4474 0.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8321 -4.6014 -0.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 -5.5031 2.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5632 0.1786 -0.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 1.1473 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0943 1.1650 1.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8036 2.0567 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8911 3.0244 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2139 2.3935 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 3.4676 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5784 2.8684 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1617 2.1148 -0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5122 1.5217 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3955 0.5572 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4478 -0.5846 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 -1.0399 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5738 0.2905 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0732 0.0427 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4913 1.9665 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2550 0.9137 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1957 -0.4756 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1703 0.7079 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7837 2.8754 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4807 3.1428 -0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6593 3.3038 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 1.6687 2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8058 2.6830 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7361 -0.1201 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1825 1.1890 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -1.6869 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -1.9213 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4306 -1.5706 -2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 0.7953 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 1.5664 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -0.1700 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 0.7700 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5415 -1.3093 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 -3.2479 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 -3.5392 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 -1.8383 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7007 -3.8901 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 -2.6930 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -0.6111 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -0.3111 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8757 -1.9954 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1237 -0.2216 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -1.2274 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.4866 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8866 -0.5063 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6846 -2.2054 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2094 -2.5148 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -4.4989 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 -4.9296 3.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1376 1.4046 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9085 2.6507 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5518 3.5725 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 3.8337 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6277 1.8522 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1515 1.6955 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 4.0275 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2667 4.2026 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4250 2.1545 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2670 3.6871 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2996 2.8398 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5437 1.2456 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2302 2.3241 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9154 0.9685 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4158 0.0891 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0314 0.9996 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4007 -0.3062 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7342 -1.5269 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5021 -0.7949 -0.8761 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 26 77 1 0 26 78 1 0 27 79 1 1 28 80 1 0 28 81 1 0 32 82 1 0 33 83 1 0 37 84 1 0 37 85 1 0 38 86 1 0 38 87 1 0 39 88 1 0 39 89 1 0 40 90 1 0 40 91 1 0 41 92 1 0 41 93 1 0 42 94 1 0 42 95 1 0 43 96 1 0 43 97 1 0 44 98 1 0 44 99 1 0 45100 1 0 45101 1 0 45102 1 0 M END