HMDB0267639 RDKit 3D PA(i-15:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 115114 0 0 0 0 0 0 0 0999 V2000 4.7443 1.8581 3.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1393 2.4516 3.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6037 2.4184 1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 2.9816 1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0395 2.2381 2.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4103 2.8446 1.9548 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4199 4.1967 2.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7999 2.7922 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7895 1.6090 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1473 1.4447 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1473 0.3056 -2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7785 -0.9792 -1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6216 -1.5239 -2.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4314 -1.7992 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -1.5551 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 -2.8804 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 -3.1778 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 -2.2662 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 -2.8855 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -2.0205 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 -2.6628 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 -3.7001 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 -2.2000 -0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -2.9231 -0.9083 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0791 -2.0878 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -1.0588 -1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 -0.1828 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.3406 -3.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 0.8793 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5864 0.2988 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -0.3561 -1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7174 -0.9394 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 -1.6176 -1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8160 -2.1912 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5522 -1.1537 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1923 -0.1109 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9059 0.8686 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6091 1.9602 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7398 2.8254 -1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6783 3.5486 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8390 4.4074 -1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2480 4.3803 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -3.6119 0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -2.6839 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 -3.4880 1.9367 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2294 -4.5816 2.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1979 -4.1647 1.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6545 -2.3853 2.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 1.4532 4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7052 0.9789 2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 2.5682 2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7763 1.8746 3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0123 3.5165 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 3.0144 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 1.3378 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2444 2.9785 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 4.0460 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8127 2.3722 3.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0791 1.1769 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1166 2.3170 2.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5301 4.1938 3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0992 3.6528 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4888 0.7823 0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 2.3456 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4400 0.2755 -3.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6770 -1.7048 -1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7086 -0.8711 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7744 -1.7253 -3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6506 -2.2061 -2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 -0.8385 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 -1.1349 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -3.6582 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 -4.1990 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6447 -1.2611 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 -2.1540 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -3.9203 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -2.8749 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -2.0632 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -0.9965 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 -3.7663 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 -1.5699 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -2.6762 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 1.6379 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 1.3348 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 1.1203 0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -0.4606 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 0.3207 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0043 -1.2474 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1679 -0.0880 -0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3625 -1.6811 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1045 -0.8936 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1748 -2.4542 -2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3508 -2.9654 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5331 -2.7941 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9172 -0.6222 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3699 -1.7048 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4277 0.3946 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9857 -0.6009 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1296 1.3290 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6651 0.3148 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1706 2.5578 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3749 1.4508 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3899 3.5273 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2269 2.1816 -2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9973 2.7878 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5744 5.3343 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 4.7014 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9181 3.8907 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9101 4.0210 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8745 5.4158 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3742 4.4232 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 -4.3357 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 -4.1566 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 -4.1412 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6061 -2.6426 3.1905 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 39 40 1 0 40 41 1 0 40 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 6 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 47114 1 0 48115 1 0 M END