HMDB0265544 RDKit 3D PA(21:0/20:3(6,8,11)-OH(5)) 135134 0 0 0 0 0 0 0 0999 V2000 -18.0131 -0.2731 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7757 0.1572 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3425 1.4908 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1281 2.0387 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9052 1.1197 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5272 0.9044 1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3664 0.0690 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3039 -1.3403 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0653 -1.7797 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7632 -1.1175 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5615 -1.7736 -2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2229 -1.5188 -3.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3230 -0.8050 -2.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0135 -0.6367 -2.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 0.0614 -2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 0.1989 -3.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 1.1129 -2.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1308 -1.1662 -3.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8523 -1.8360 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 -1.1684 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -1.0734 -1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 -1.5424 -2.7426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -0.4547 -0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -0.3689 -1.5105 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6895 -1.3193 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -1.1556 0.5575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -0.1548 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 0.7866 0.6643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 -0.2428 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 0.8337 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 0.7819 2.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 -0.4737 3.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8939 -0.5057 3.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 -0.4397 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5466 -0.5289 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5095 0.4940 1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 0.9464 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3255 0.0316 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4814 -0.8440 3.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8486 -0.3699 3.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0554 0.2490 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5184 0.6674 1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6963 1.2820 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3336 0.2748 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5621 0.9525 -1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2372 0.2143 -3.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9631 -1.0491 -3.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 -2.1223 -2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 1.0262 -1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 1.1422 -2.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 2.7268 -2.4818 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0835 3.3622 -1.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 3.6494 -3.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 2.7475 -3.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3106 -1.2567 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7121 -0.3110 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7897 0.5010 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9677 0.2469 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0244 -0.6452 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1765 2.1970 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2361 1.4377 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8327 2.9678 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2526 2.2832 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1116 1.6488 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1271 0.1744 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3306 1.9482 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4051 0.5526 1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4471 0.6507 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2234 0.1473 2.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3110 -1.8133 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6035 -1.9279 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1522 -2.8980 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6167 -0.0556 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8093 -2.8708 -2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3141 -1.3892 -3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9507 -1.9473 -3.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 -0.3686 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7835 -1.0730 -3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2259 0.5222 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8733 0.5649 -4.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4942 1.7176 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 -1.7922 -3.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -1.1840 -3.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3775 -2.8339 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7726 -2.1061 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 -1.8266 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 -0.1597 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 -0.8732 -2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 -1.3192 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -2.3892 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -0.1222 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 -1.2664 3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 1.8130 2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 0.8546 4.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2082 1.6498 3.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 1.0143 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -0.6541 4.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 -1.3846 2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3245 0.2993 3.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3168 -1.4949 3.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -1.2940 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 0.4929 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8659 -1.5775 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5398 -0.6716 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 0.2886 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1673 1.4499 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6364 1.7735 2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 1.5865 3.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5784 0.7136 4.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -0.5391 4.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2117 -1.6222 2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 -1.5233 4.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0692 0.4463 4.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6131 -1.1771 3.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8309 -0.5719 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4831 1.1394 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7145 1.3647 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 -0.2464 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9658 2.1131 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7305 1.5857 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2724 0.0060 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0585 -0.5378 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9732 1.9345 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6291 1.3335 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3716 0.8808 -3.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1052 0.0137 -3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7975 -1.4257 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 -0.7988 -3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7852 -1.8836 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5294 -2.3490 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4601 -3.0629 -2.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 1.7215 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4361 1.4811 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 3.0611 -3.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 2.7089 -4.1596 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 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 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 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 53134 1 0 54135 1 0 M END