HMDB0263781 RDKit 3D PA(18:1(9Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 122122 0 0 0 0 0 0 0 0999 V2000 -14.1612 -0.4251 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4544 -1.2741 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4453 -2.2604 -2.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1339 -3.3393 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4981 -2.9365 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1422 -2.2687 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6528 -1.9109 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2558 -1.2145 1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5130 -0.0510 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9298 0.2660 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8736 -0.3376 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0153 -1.4178 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 -1.4663 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 -0.6064 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 0.7889 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5543 1.8570 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2447 3.2108 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 3.5243 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4238 4.6231 0.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 2.8188 -0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 3.1045 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 2.9717 0.5693 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1171 3.5029 1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 3.1061 2.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 3.7369 4.3439 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2841 4.1987 5.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 2.5379 5.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 5.0549 4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 3.4623 0.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 2.7365 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 1.5507 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 3.4491 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 2.6616 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 1.4255 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5954 1.5965 -1.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 1.3562 -2.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9621 0.8846 -2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 0.6593 -1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -0.5000 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8621 -1.7709 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1674 -2.4053 -1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 -1.9912 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6709 -0.7465 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2508 -0.9817 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5413 -1.6185 2.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -2.4569 1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 -2.8070 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8005 -2.4434 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1973 -2.7673 1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1379 -2.3658 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9264 -0.8655 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7372 -0.7814 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5999 0.6172 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1211 -0.2637 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7678 -0.6001 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4508 -1.8093 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4598 -1.7158 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7016 -2.6585 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1107 -3.8745 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5480 -4.1486 -1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1496 -2.3656 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2210 -3.9078 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1823 -1.4723 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4820 -3.0819 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3694 -1.2073 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5702 -2.8116 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9750 -0.9292 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6520 -2.0156 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3197 0.6197 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3671 1.2495 -1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3863 -0.6358 -2.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2428 0.5087 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3646 -1.5892 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5764 -2.4450 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6179 -2.5822 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5214 -1.5078 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0993 -1.1190 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 -0.7089 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 0.8063 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 1.0840 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6887 1.7423 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 1.9144 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 4.0069 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 3.1247 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 4.1045 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 2.3829 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 1.8473 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 3.0115 2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 4.6017 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 2.1283 4.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 4.7247 3.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 4.3680 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 3.8252 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 2.3722 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2584 3.3092 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 0.7064 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 0.8387 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6823 1.9668 -2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 1.5566 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7543 1.5377 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1093 -0.0793 -2.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 1.5188 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -0.5165 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 -2.5082 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -1.8111 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1891 -3.4096 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2130 -2.6656 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 0.1052 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 -0.3826 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9818 -0.2600 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9873 -3.2198 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8341 -3.8597 2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9654 -2.1178 2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6868 -1.3765 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5999 -3.0571 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4101 -2.1444 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2492 -3.8537 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7642 -2.8683 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1911 -2.6007 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1322 -0.6989 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7388 -0.3956 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8504 -0.3792 -0.2571 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 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 46 44 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 7 66 1 0 8 67 1 0 8 68 1 0 9 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 46111 1 0 47112 1 0 47113 1 0 48114 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