HMDB0263775 RDKit 3D PA(18:1(11Z)/PGD1) 126126 0 0 0 0 0 0 0 0999 V2000 -10.9300 -0.4198 -3.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8040 -1.3004 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8320 -0.4493 -1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1049 0.5569 -0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1388 1.4556 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4157 2.4957 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5161 3.2736 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2161 3.3966 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4695 2.7105 0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4945 1.7146 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6999 0.9915 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8265 1.9166 2.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 1.1751 3.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 0.0764 2.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 0.5017 1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -0.6763 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 -1.7523 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 -2.8607 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 -3.9260 -0.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -2.7501 0.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -3.8343 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -3.4773 0.3995 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8135 -3.4663 1.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -3.4474 2.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 -3.4877 3.6541 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1012 -3.4668 3.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 -2.1986 4.4465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 -4.9640 4.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -2.3662 -0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -2.4764 -1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -3.6561 -1.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 -1.3271 -1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -1.4433 -2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -1.3692 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 -2.3078 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0983 -2.3380 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4871 -1.1889 1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -0.0049 0.7813 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4038 1.0096 1.9256 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5905 0.2645 3.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6654 1.7191 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5013 0.5439 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6685 0.3914 1.3563 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -0.3614 0.3705 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9164 -0.2286 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 0.2140 -2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 0.2817 -3.4071 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7556 0.9377 -4.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 0.7959 -3.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3981 2.1709 -3.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2362 2.5662 -1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6678 4.0340 -1.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4837 4.3768 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9213 -0.3144 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4160 0.5888 -3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8424 -0.8627 -4.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1568 -1.8794 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3110 -2.0432 -3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4349 0.0454 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5044 -1.1061 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5496 0.0514 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4412 1.1647 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8145 0.8592 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6692 2.0144 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9891 2.0506 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2288 3.1864 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0242 3.8184 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6917 4.0142 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8024 3.4924 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0698 2.1916 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7748 2.2511 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0223 0.9789 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0244 0.2752 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4365 0.4727 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5170 2.6325 2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1683 2.5379 1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4286 1.9462 3.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7867 0.8043 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7413 -0.4061 3.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 -0.7421 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 1.1779 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 0.9807 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 -1.1526 2.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -0.3717 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5296 -1.2721 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8601 -2.1337 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -4.6971 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 -4.1626 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -4.3814 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -4.4248 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.6289 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 -1.4026 3.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -4.7436 4.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7745 -1.0411 -2.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -0.4422 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 -2.3533 -3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -0.5963 -3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 -1.4898 -2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -0.2881 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 -2.2922 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 -3.3592 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -3.1678 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -2.8506 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1867 -1.4759 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6156 -0.7359 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 0.5458 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5284 1.6860 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 0.5891 3.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 2.4604 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1133 2.1579 2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -1.3830 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9533 -0.5424 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 0.5473 -1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7041 -0.7741 -3.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 1.1639 -5.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 0.7338 -4.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8532 0.0721 -3.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 2.8897 -3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4602 2.3672 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1434 2.5879 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 1.9786 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 4.7266 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7363 4.1435 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4071 4.6552 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6904 3.4703 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1584 5.2249 0.1645 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 39 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 44 38 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 6 39107 1 1 40108 1 0 41109 1 0 41110 1 0 44111 1 1 45112 1 0 46113 1 0 47114 1 6 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END