HMDB0280967 RDKit 3D PS(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/14:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 15.1325 1.2199 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3165 1.6286 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6614 2.9982 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7653 3.9426 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3318 3.8279 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5391 4.1583 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6901 3.3415 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4513 1.9971 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9506 1.9399 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 2.9571 -0.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 0.6780 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5168 -0.0503 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3421 -1.2679 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 -2.0326 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -1.7158 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -1.5636 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -0.5004 -0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 0.7500 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 1.1902 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 1.4535 0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 0.2706 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 0.3329 -0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 -0.9337 0.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -2.1398 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 -2.2310 0.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9153 -3.5663 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -3.6691 -0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 -5.0593 -1.0871 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1573 -4.8587 -1.7915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -5.4423 -2.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9454 -6.3994 -0.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 -7.5460 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1852 -8.8050 -0.0192 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0058 -8.9799 0.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3374 -9.9586 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -10.0183 -1.7277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -10.9685 -0.8804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 -1.2185 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -0.3658 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -0.4924 1.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 0.6694 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 0.1164 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -0.3007 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4886 0.8692 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9827 1.9506 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4866 3.1082 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6347 2.7805 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8047 2.2540 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9928 2.8205 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3343 4.0711 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4496 3.8964 1.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6869 5.2698 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0729 6.2701 1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0093 1.9507 -2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2108 1.2043 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 0.1882 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2461 1.4722 -0.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6689 0.9196 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7080 3.2344 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0692 4.9567 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 4.7187 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0557 2.9793 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6793 5.1689 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0972 3.6341 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5228 1.2373 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 1.6708 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 2.1989 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3736 2.6327 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 0.3215 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 0.3640 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 -1.5444 -1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 -2.9419 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -0.8776 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -2.6564 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.4511 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 -0.5826 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4704 0.7257 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 1.5612 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8263 2.1482 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 0.4294 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1905 2.1870 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 1.9600 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 -2.9233 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 -2.4251 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 -2.2638 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -4.3959 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -3.4978 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9124 -4.8344 -3.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0064 -7.4402 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -7.6399 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0766 -8.7740 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 -8.3058 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -8.8568 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -11.8250 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 1.5470 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 1.0246 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -0.8346 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1562 0.7646 -2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6162 -1.0697 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8228 -0.6138 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3841 0.4720 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7426 1.2564 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 2.3489 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 1.5305 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6734 4.0195 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 3.3932 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 3.6605 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2969 1.9676 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6755 1.3117 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7621 2.2909 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7806 4.7552 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4804 4.6376 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3865 3.6277 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2579 3.1400 2.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7256 5.5792 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4622 5.1879 3.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6295 5.8318 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6552 7.0876 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1710 6.7772 1.0575 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 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 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 33 91 1 1 34 92 1 0 34 93 1 0 37 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 42 98 1 0 43 99 1 0 43100 1 0 44101 1 0 44102 1 0 45103 1 0 45104 1 0 46105 1 0 46106 1 0 47107 1 0 47108 1 0 48109 1 0 49110 1 0 50111 1 0 50112 1 0 51113 1 0 51114 1 0 52115 1 0 52116 1 0 53117 1 0 53118 1 0 53119 1 0 M END