HMDB0266749 RDKit 3D PA(P-16:0/18:1(9Z)-O(12,13)) 115115 0 0 0 0 0 0 0 0999 V2000 11.6934 0.2385 -2.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 1.6602 -2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 2.2298 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 1.3627 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9016 1.9204 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4211 1.1328 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1422 -0.2940 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 -1.0857 1.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3904 -2.4862 1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8975 -3.4563 2.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 -3.3345 3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 -3.2592 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -2.1825 1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -1.7579 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 -0.6946 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -0.9782 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -0.0456 -1.7228 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 0.6518 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 -0.3374 -0.0925 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8534 -1.1676 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 -2.0598 -0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 -2.9335 -1.6466 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1152 -4.3615 -1.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -2.1521 -3.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -2.8044 -1.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 0.4487 0.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 0.4679 2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 -0.2683 2.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 1.1928 3.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 1.9385 2.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 3.0765 1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 2.9360 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 1.9921 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8822 2.5672 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 1.6983 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9104 1.4880 -1.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8751 1.8507 -2.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1371 2.5017 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3203 1.6487 -2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6133 2.2455 -2.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1785 0.9944 -1.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9974 1.2123 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0200 0.4199 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9247 -1.0526 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5694 -1.5707 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5799 -3.0659 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7572 -0.4891 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 0.1116 -3.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5199 -0.0595 -3.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 2.2795 -3.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6639 1.7010 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 3.2661 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8153 2.1989 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1059 0.3241 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9437 1.4317 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 1.9124 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 2.9753 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 1.1106 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.6129 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 -0.7559 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4075 -0.3158 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7642 -0.5698 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -1.1277 2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9452 -2.4408 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4735 -2.8402 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -4.4510 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 -3.7469 2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7942 -2.5135 3.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -4.2563 3.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 -4.2664 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -3.4012 3.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -1.2261 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 -2.3904 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 -2.5728 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -1.1741 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 0.2153 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -1.9181 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 1.3416 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 1.2067 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.9160 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 -1.7591 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 -0.4623 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -2.7103 -3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4122 -3.1570 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 0.3982 3.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 1.8302 3.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 2.3568 3.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 1.1700 2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 3.8295 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 3.6985 2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 2.8556 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 3.9645 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 0.9524 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 2.0412 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 3.5995 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 2.5508 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8982 0.7181 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9321 2.1240 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0335 1.0138 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7206 1.6427 -3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2852 2.7985 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2093 3.4213 -3.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3571 1.2419 -3.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8453 0.1989 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9554 0.8593 -0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0504 2.2835 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0664 0.7148 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9546 0.6918 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1287 -1.2840 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6854 -1.5407 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7338 -1.1515 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4669 -1.3995 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6621 -3.5263 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4843 -3.5143 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7165 -3.2335 -0.6714 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 19 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 2 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 41 39 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 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 18 78 1 0 18 79 1 0 19 80 1 1 20 81 1 0 20 82 1 0 24 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 46115 1 0 M END