HMDB0263378 RDKit 3D PA(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 116115 0 0 0 0 0 0 0 0999 V2000 -11.3724 3.4234 -2.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4893 2.5537 -2.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0684 1.0775 -2.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1819 0.2155 -1.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9983 -1.2339 -1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9190 -1.8157 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2252 -1.4591 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4115 -0.8630 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0291 -0.4257 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9421 1.0353 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6725 1.7655 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5206 1.3721 1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8552 0.0993 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8515 -0.3156 2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -1.5641 1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 -1.2758 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5384 -1.1795 -0.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -1.1162 1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -0.8799 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -1.8879 -0.3834 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6963 -3.2663 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -4.2294 -0.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 -5.7780 -0.2250 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1051 -6.0079 -0.5417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7336 -6.9968 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 -5.8708 1.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -1.7205 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 -1.5248 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 -0.9394 -1.6956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -1.9525 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 -0.8212 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 0.3378 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 1.5701 1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 2.0914 2.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 1.6534 2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 0.4531 1.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 0.2519 1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9246 1.2939 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2683 1.3540 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 1.1324 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5541 0.8110 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 1.8102 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9097 1.5692 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4189 0.2176 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2228 -0.0272 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5431 0.5973 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7001 2.0633 -1.4548 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9353 2.7893 -2.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0945 2.2879 -1.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4012 4.3903 -2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3981 2.9377 -2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5011 3.6786 -3.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6775 2.8222 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3715 2.6645 -2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9052 0.9467 -3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0978 0.9681 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5557 0.6012 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0635 0.4344 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8069 -1.5882 -2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9653 -1.7104 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9636 -1.4667 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9237 -2.9268 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2620 -1.7473 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7618 -0.6478 2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4177 -0.9509 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6635 -0.8655 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2735 1.3429 2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7367 1.5065 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8748 2.8612 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4141 1.6467 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7709 1.4182 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7232 2.1839 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4918 -0.6998 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 0.2828 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3994 -0.4223 3.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0891 0.4906 2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -2.0897 2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 -2.2444 1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 0.1455 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 -0.9154 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -1.5701 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7807 -3.2950 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -3.4279 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -6.5373 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -5.2733 1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 -2.9429 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 -2.0019 -0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -0.4996 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -1.1639 2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 0.1216 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 0.5598 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 2.0981 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 3.0731 2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 1.7325 3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 2.5288 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -0.4919 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 -0.7993 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8082 1.2624 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4868 2.3373 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5262 1.5764 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8084 1.1715 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1666 0.3757 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 -0.1365 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3065 2.8838 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 2.4483 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7398 -0.6210 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 0.0894 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6097 0.2011 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3752 -1.1567 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2959 0.1673 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9572 0.2262 -2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6649 2.5536 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0960 3.3794 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5504 3.5688 -3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5643 2.0969 -3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2446 1.7438 -2.6252 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 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 20 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 19 79 1 0 19 80 1 0 20 81 1 6 21 82 1 0 21 83 1 0 25 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 1 48113 1 0 48114 1 0 48115 1 0 49116 1 0 M END