HMDB0264568 RDKit 3D PA(19:2(10Z,13Z)/18:1(12Z)-O(9S,10R)) 121121 0 0 0 0 0 0 0 0999 V2000 11.5484 1.0576 1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0461 2.3975 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0515 3.0160 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5829 4.3095 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2661 4.2972 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4461 3.3290 -2.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6043 2.4046 -3.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 2.0012 -2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6097 2.5958 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 2.0572 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2784 0.6034 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 0.3673 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2471 -0.9493 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4617 -2.1459 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 -2.9367 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 -2.4480 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 -1.9785 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -1.4792 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -1.0367 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -1.2400 1.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 -0.4423 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.0220 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -1.2441 0.7937 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8344 -2.2340 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -1.7511 -1.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 -2.8554 -2.5843 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9885 -2.6036 -3.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -4.4217 -1.9451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 -2.6749 -3.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.9902 1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 -1.3922 2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 -2.0203 3.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5363 -1.1338 3.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1759 -2.4470 3.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 -3.3274 2.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 -2.6171 1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7597 -3.5311 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7947 -3.0486 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1713 -2.9312 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1770 -2.4783 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9546 -1.2237 -1.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1747 -1.4862 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4844 -0.5403 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4185 0.3829 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5569 1.6893 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7899 2.3364 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5462 3.1840 -0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8443 3.8598 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6393 4.7137 -2.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9349 5.3656 -2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6337 1.1329 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 0.8348 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4089 0.2585 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8519 3.0958 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 2.2781 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9897 3.1406 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 2.3064 -1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4551 5.0897 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3757 4.7431 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5067 4.0402 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 5.3562 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4071 3.4419 -3.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9627 1.7598 -3.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 0.8537 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6013 2.0679 -3.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3752 3.6965 -1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5738 2.6574 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 0.2840 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8739 0.1061 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 0.8602 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7336 1.0635 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7587 -0.7867 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -1.2401 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 -2.0192 2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -2.9029 2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 -3.4056 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -3.9145 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 -3.3883 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -1.8144 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.8023 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -1.0878 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -2.2563 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -0.5780 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 0.5554 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 0.6370 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -1.7493 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 -2.2998 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 -3.2433 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -4.5500 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -3.3364 -3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -0.5748 2.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.5440 4.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 -2.9972 4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1459 -2.1807 4.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8201 -4.3131 2.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -3.4882 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -2.3675 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -1.7109 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1021 -4.5067 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7907 -3.7281 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -2.0631 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8223 -3.7560 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3891 -3.9987 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0463 -2.3158 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3590 -3.3033 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0235 -1.5287 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6059 -1.2485 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4887 -0.1438 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4416 -0.0125 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7195 2.3665 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0242 3.1155 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6957 1.7512 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7981 3.9730 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2197 2.5586 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6304 3.1075 -1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2291 4.4760 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2890 4.1225 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8733 5.5014 -2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2519 6.0548 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7111 4.5921 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7926 5.9402 -3.8707 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 2 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 1 0 31 32 2 0 31 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 40 41 1 0 41 42 1 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 48 49 1 0 49 50 1 0 42 40 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 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 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 0 22 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 50121 1 0 M END