HMDB0267600 RDKit 3D PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-14:0) 114113 0 0 0 0 0 0 0 0999 V2000 -12.4745 1.7118 3.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5300 2.4456 2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8565 1.4660 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1490 1.1431 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8377 1.7855 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7370 0.7981 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7336 0.8609 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5032 1.8722 2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1865 2.6260 1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2662 3.2712 0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1245 1.5926 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6985 1.0139 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6544 0.0292 0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 -0.6005 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6385 -0.3386 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2296 -1.5837 -2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 -2.1378 -3.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7513 -1.6796 -4.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -2.5731 -4.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 -3.7158 -3.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 -4.4657 -2.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 -4.8296 -1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -3.6892 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -3.9896 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -2.3732 -1.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -1.3628 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -1.2297 -1.5126 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6279 -2.4330 -1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 -2.8916 -0.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -4.2517 -0.6676 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2160 -4.9645 0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 -5.3651 -1.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -3.8139 -1.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 -0.2066 -0.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0293 0.8663 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 0.9269 -2.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 1.8970 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 1.9051 -1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9474 0.6232 -1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 -0.0266 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 0.6379 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7128 0.8802 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 1.4648 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1454 0.5591 1.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2507 1.1093 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5293 1.3361 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5726 1.8266 2.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0898 3.1109 3.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8186 2.1778 1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2954 0.9664 3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5299 2.3850 4.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5134 1.1494 4.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3621 3.2027 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6139 3.0094 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8327 0.9383 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5113 0.3995 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9281 2.1342 -0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6118 2.6793 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7443 -0.0334 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9398 0.0889 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3786 1.2992 3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2868 2.6252 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0441 3.3103 2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 4.2406 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6967 1.3153 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1763 1.3366 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2601 -0.2165 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 -1.3253 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 0.4591 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 0.0264 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0691 -2.0619 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3656 -3.0598 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -1.5042 -5.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -0.6244 -3.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 -2.1340 -5.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 -4.1565 -4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -5.4511 -3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 -4.0686 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -5.3265 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -5.5919 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.5298 0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 -0.3819 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 -0.8970 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -3.2678 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -2.1855 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -4.9719 -2.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 -3.1187 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 1.6606 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 2.8647 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 2.8010 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 2.1292 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -0.1305 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8537 0.7120 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 -1.0339 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 -0.3176 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 0.0276 1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0597 1.6236 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 1.6726 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 -0.0151 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4406 2.4281 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 1.7180 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5036 -0.4330 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 0.4141 2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9742 1.9918 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 0.3275 3.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8430 0.3901 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4457 2.1146 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8068 1.0635 3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7212 2.9828 4.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9093 3.8897 3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2499 3.5637 2.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7175 2.2781 2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0573 1.4037 1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6811 3.1346 1.4277 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 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 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 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 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 6 28 84 1 0 28 85 1 0 32 86 1 0 33 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 48109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 49114 1 0 M END