HMDB0267435 RDKit 3D PA(i-13:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 109108 0 0 0 0 0 0 0 0999 V2000 12.6812 -0.5324 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5149 -0.0398 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6576 -0.5556 -1.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5411 -0.1231 -2.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4758 1.3686 -2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 1.8569 -3.4490 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4203 3.2690 -3.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 1.4328 -2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 1.2343 -1.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 0.8225 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 0.5832 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 0.6955 1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -0.4070 1.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -1.6531 1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 -2.3545 0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 -3.0025 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -2.8171 1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -1.9423 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.8284 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -1.3276 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 -0.1916 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 0.5471 2.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7745 0.0930 1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.1526 1.9804 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8584 0.7619 2.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 0.0108 1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 -0.4942 2.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2828 -0.2836 3.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 -1.2724 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4818 -0.8890 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6519 0.4214 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6857 1.3299 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 1.9184 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9608 1.1574 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9214 -0.0781 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3149 -0.6323 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0057 -0.9419 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3992 -1.5170 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0755 -1.8207 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1961 -0.4860 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 2.2451 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 1.8111 -0.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 2.9894 -1.4179 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3327 4.0716 -1.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 2.2034 -2.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 3.5956 -1.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5284 -1.6193 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7101 0.0402 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5972 -0.3623 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5431 -0.3521 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5707 1.0692 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 -0.1129 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -1.6541 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 -0.5432 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 -0.5326 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4609 1.8737 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 1.6886 -3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 1.4663 -4.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 3.6056 -2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 1.2824 -3.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 1.3705 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 0.6877 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 0.3247 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5677 1.5529 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9566 1.2021 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9572 -0.0979 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4607 -2.3142 2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -3.2734 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 -1.7895 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3169 -3.7040 2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0811 -3.3516 1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -1.6089 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 -2.6233 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 -0.1646 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1247 -0.2272 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -1.8956 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 -2.0061 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 1.6475 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.2607 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 1.6623 2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2639 -2.3536 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 -1.3889 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 -1.3271 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1381 -1.6149 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 1.1337 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9825 0.3768 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1705 0.9867 -2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 2.2855 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1492 2.8886 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3159 2.4167 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7832 1.8589 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4794 0.8763 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4172 -0.8801 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3890 0.0944 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9077 0.1411 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2018 -1.5510 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4096 -1.6667 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2304 -0.0045 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3223 -2.4407 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4153 -2.3298 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0284 -2.3643 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3573 -0.8187 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2815 -0.6261 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0025 -0.6107 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9373 0.5235 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 2.7158 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 3.0526 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 1.3739 -2.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 4.2427 -2.4541 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 1 0 6 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 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 6 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 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 1 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END