HMDB0263393 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/16:1(9Z)) 116115 0 0 0 0 0 0 0 0999 V2000 15.8647 0.7719 -2.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0010 1.7859 -3.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 2.0342 -2.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0370 0.7202 -2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7788 0.9084 -1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0985 -0.3942 -1.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 -0.9263 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3029 -0.3482 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 0.0601 1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 0.0378 1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -0.3888 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2713 0.7493 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0189 1.8242 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 0.2124 -0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 -0.4021 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 -0.5934 0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 -1.2433 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1253 -1.4421 2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -2.8922 2.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 -3.6402 1.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -3.1891 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 -3.5881 2.9073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 -2.3785 0.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -1.9117 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.8417 2.0023 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0634 -0.9683 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 0.3058 4.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 0.2415 5.6094 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5676 0.9631 5.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 -1.3566 6.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 0.9940 6.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 -0.5087 2.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 0.6525 1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7427 1.5313 1.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 0.8785 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 2.2230 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8407 2.4325 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5694 1.3516 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2014 1.3434 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9017 0.2431 -1.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4111 0.4070 -1.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1064 -0.6626 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9328 -0.4759 -3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2835 0.8233 -4.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6601 1.2914 -4.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5884 1.4827 -2.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1418 0.4321 -2.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3495 -0.4481 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5168 0.2724 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8986 0.8670 -3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8390 0.9600 -1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4845 -0.2608 -2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5823 2.7235 -3.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 1.3590 -4.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1359 2.3582 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1307 2.8304 -3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7708 0.2693 -3.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7114 0.0634 -1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1204 1.6400 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0569 1.3834 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 -0.9376 -2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4238 -1.9416 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1626 0.3837 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8994 -1.2245 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8183 0.4558 2.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 0.4080 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 -1.1247 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5707 -0.8853 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 1.1199 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6504 2.6803 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 0.3396 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -0.7743 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -0.2424 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -1.5948 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 -0.9548 3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 -0.9081 2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 -2.9312 3.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 -3.3900 2.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -4.7084 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -3.6927 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -1.4615 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 -2.7707 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 0.1048 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -1.6893 4.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 -1.0985 3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.2930 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 1.9763 6.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 0.0377 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 0.7803 2.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8735 3.0105 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9814 2.3452 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1304 3.4535 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1909 2.3981 2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3421 0.3791 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6871 1.5091 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 2.3162 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 1.2971 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5817 -0.7596 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6421 0.3661 -2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6788 0.2174 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7441 1.4219 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9207 -1.7049 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3480 -1.4227 -3.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9163 0.7754 -5.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5890 1.6462 -3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2249 0.6870 -4.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5972 2.3186 -4.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2264 2.3762 -2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5183 2.0088 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9893 0.8428 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7736 -0.2709 -2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7878 -1.2747 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1091 -1.0547 -0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0710 1.2025 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2225 0.6259 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8155 -0.3972 0.2497 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 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 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 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 6 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 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 49116 1 0 M END