HMDB0263693 RDKit 3D PA(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 122121 0 0 0 0 0 0 0 0999 V2000 11.3815 -0.7033 4.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2616 -1.4128 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 -0.5153 2.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1024 0.1822 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 -0.7595 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7608 -1.7059 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5301 -2.5664 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3081 -2.6112 -2.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2808 -1.8138 -2.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3002 -2.7810 -3.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 -2.0744 -4.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3808 -1.1672 -3.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7425 -1.9382 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9774 -0.9982 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 -0.2530 -1.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 -1.0871 -2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -1.9148 -1.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 -1.0714 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 -1.5487 0.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4846 0.2696 -0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 1.2786 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 1.5071 0.1376 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8930 1.8287 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2568 2.1341 -1.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 2.4791 -3.0351 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3159 2.7755 -3.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 1.1350 -3.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6495 3.8035 -3.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 2.6116 0.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 2.7079 2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 1.7342 2.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 3.9817 2.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 4.0325 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 3.8842 3.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4733 4.9827 2.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 4.8739 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0238 3.5568 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4207 3.4458 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3122 2.5672 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 1.5135 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9875 1.6738 2.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8140 0.7225 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9713 -0.5814 2.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3703 -0.5861 1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7131 -0.7020 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7506 -0.8545 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1188 -2.1516 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4224 -2.1171 -2.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8314 -3.4001 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3631 -3.5758 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1813 -4.8890 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7527 0.1983 3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1534 -0.4771 5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2523 -1.4163 4.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6201 -1.8829 4.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 -2.2508 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8729 0.2364 3.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -1.1312 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8797 0.8520 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3585 0.8461 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2904 -0.1647 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5483 -1.3257 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0046 -1.0631 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -2.2867 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3286 -3.1919 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9244 -3.2886 -2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7805 -1.3106 -3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8151 -1.0078 -2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 -3.4716 -2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8121 -3.4229 -4.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6221 -1.4549 -4.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4935 -2.7886 -4.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -0.7396 -3.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -0.3531 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5638 -2.3758 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 -2.7745 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -1.5308 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6948 -0.2169 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 0.5276 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 0.3087 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -0.3863 -2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -1.7162 -3.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -2.5770 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6543 -2.6354 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4523 2.2335 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 1.1728 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.6293 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 0.9596 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.6902 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 0.6054 -4.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 4.5473 -2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 4.1987 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 4.8314 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 4.9554 4.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 3.1531 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 2.9068 2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8592 4.0607 4.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 6.0019 2.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9951 5.7647 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 3.6311 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 2.6962 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6919 4.2062 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3256 2.5898 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 0.5290 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0319 1.6819 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9409 2.6277 3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4933 0.8845 3.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8651 -1.3890 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2005 -0.7866 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1767 -0.4810 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7808 -0.6932 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9280 -0.0544 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7039 -0.9560 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4773 -2.1970 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5669 -2.9744 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4023 -3.5469 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1848 -4.2484 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8541 -3.6827 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9613 -2.7403 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4083 -4.7613 1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9642 -5.6061 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1538 -5.2697 0.1996 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 51122 1 0 M END