HMDB0266814 RDKit 3D PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/a-13:0) 109108 0 0 0 0 0 0 0 0999 V2000 9.6587 5.0814 2.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5721 5.7663 0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1373 6.1596 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 4.9670 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 3.9456 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 2.8209 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 1.5637 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2849 1.0909 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 0.4640 1.2918 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0679 1.4769 2.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 -0.7625 1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2753 -1.5691 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 -2.7850 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1229 -3.6315 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -3.4827 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1528 -3.3993 -2.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -3.3872 -2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -3.4503 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -4.6820 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -4.8116 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 -3.7546 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -2.7489 -0.6557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -3.8760 -2.2141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 -3.0406 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 -2.8902 -1.0196 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7763 -4.2441 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -4.1353 0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 -5.6258 1.7007 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0940 -6.7395 0.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -5.7696 3.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -5.7904 2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -2.1594 -1.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -1.0255 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -0.4688 0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -0.3784 -0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2309 -1.1378 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5985 -0.8232 -1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7209 -0.8836 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0160 -0.0099 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3154 1.4133 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3289 2.3845 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1971 2.7176 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7823 3.3307 1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5424 4.5661 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6548 3.6426 2.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 4.6053 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 4.0213 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 5.6098 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6647 5.1895 2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1570 6.7033 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 5.1625 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 6.7643 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8126 6.8190 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1221 4.5385 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1862 5.3587 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 4.4449 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5776 3.6057 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 3.0417 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 0.8283 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 0.3517 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 1.8548 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5159 0.2994 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0795 1.5767 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 -1.0517 2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 -1.2641 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 -3.0476 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5965 -4.5672 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0225 -4.3195 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9745 -2.5832 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -3.3333 -3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 -3.3188 -2.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -3.1203 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4699 -2.6052 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0811 -5.6014 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -4.6443 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -5.8088 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 -4.8901 -2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 -3.5170 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 -2.0445 -2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -2.3271 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -4.7050 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -4.9116 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -4.9066 3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -6.5847 2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -0.3486 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 0.6506 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2354 -2.2462 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5713 -1.1545 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6214 0.1157 -2.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8367 -1.6167 -2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7210 -1.0087 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6908 -1.9785 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9788 -0.4378 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2756 -0.1926 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1643 1.4360 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7858 1.8059 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8903 3.3757 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9510 2.2046 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6033 3.5173 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5699 1.9089 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4243 2.5678 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6007 4.2418 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6337 5.2961 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1393 4.9798 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0439 4.0155 3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1411 2.6835 2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0682 5.4031 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 4.0964 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 5.1334 2.8954 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 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 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 1 0 43 44 1 0 43 45 1 0 45 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 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 1 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 44102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END