HMDB0267480 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-13:0) 107106 0 0 0 0 0 0 0 0999 V2000 11.9321 -1.3875 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1911 -1.5263 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3330 -0.7277 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2014 0.2195 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9118 0.5654 2.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2985 -0.5047 2.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0191 1.3728 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7441 1.7180 2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 1.3681 1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 1.7318 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 1.3934 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 0.5895 0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 -0.6456 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 -1.0238 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 -0.2158 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 0.1509 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 1.3819 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 2.5340 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 3.4199 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 3.9642 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 2.9197 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 3.1215 -0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 1.6748 -1.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 0.7469 -1.7265 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1655 -0.4911 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 -1.2919 -1.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 -2.4778 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7728 -2.9270 0.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8324 -3.2396 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 -2.5956 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 -1.1938 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -0.5002 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3501 -0.4314 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 0.2989 2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8310 -0.0888 2.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6074 -0.1814 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0637 -0.4836 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9437 -0.6106 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9138 0.6545 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5490 -1.8404 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 0.3764 -3.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -0.5452 -3.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0266 -0.8743 -4.8547 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9551 0.1044 -5.4901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 -2.4690 -4.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 -0.8676 -5.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5848 -0.6142 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8922 -1.0431 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1774 -2.3279 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4992 -2.6077 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 -1.4318 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3026 -0.9565 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1461 0.7418 1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 1.2580 3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 -0.4054 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7617 0.8868 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5371 2.3536 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7785 2.2971 3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 0.7992 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4116 2.3389 3.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2761 1.7142 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4894 1.2179 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 0.2338 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 -1.2852 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6201 -1.9715 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 0.5688 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 -0.9876 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -0.7028 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 1.4808 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 2.3552 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 3.2193 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 4.2842 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 2.9407 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 4.6834 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 4.5322 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 1.2320 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2678 -1.0487 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 -0.1447 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -4.2562 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 -3.2706 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9101 -2.6896 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9185 -3.2093 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -1.1534 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.5685 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3478 -1.0283 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5481 0.5361 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3702 0.0799 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2307 -1.4716 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1283 0.5046 3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 1.4142 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 0.6635 2.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0212 -1.0574 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5802 0.6928 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3343 -1.1389 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0632 -1.3959 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4621 0.3529 2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9871 -0.7960 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8494 0.7911 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0337 0.6507 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7518 1.4938 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5989 -2.6911 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3326 -1.9851 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5515 -1.7501 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 1.2746 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.0534 -3.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 -3.0300 -4.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 -1.6856 -5.4252 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 5 7 1 0 7 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 1 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 45106 1 0 46107 1 0 M END