HMDB0115600 RDKit 3D PA(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) 129128 0 0 0 0 0 0 0 0999 V2000 13.9893 5.9206 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7896 4.4054 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 3.9240 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9005 3.3195 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1259 3.0392 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 1.7205 1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0481 0.5751 1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8858 0.3053 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0178 -0.6135 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1719 -1.7793 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3176 -2.3441 -1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 -3.6111 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4703 -3.8068 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -2.8442 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5884 -2.5976 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 -2.8664 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 -3.4372 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8495 -4.7346 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -4.9435 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -4.2262 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 -2.7766 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -2.1531 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -2.8296 1.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -0.8055 1.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.0834 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 -0.1448 0.9928 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9195 0.2693 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -0.4676 -0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -0.0168 -2.0946 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5717 0.3508 -3.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 1.2516 -2.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 -1.3680 -2.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 0.6061 1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 0.0554 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -1.1472 1.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 1.0124 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 1.5954 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 0.5480 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -0.2458 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 0.6456 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7706 -0.1712 1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4013 -1.1355 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0426 -0.6531 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2305 0.2556 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9147 1.5043 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 1.9213 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5558 1.1391 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7778 1.9496 1.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9361 1.6272 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1555 0.4207 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5464 0.4652 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8134 1.0465 -1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0510 2.4955 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4108 2.9178 -2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0904 6.4088 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8729 6.0634 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1249 6.3586 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3749 4.1374 2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 3.9835 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5692 4.0734 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5080 3.0668 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 3.6166 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5026 3.6482 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0694 1.7249 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6186 -0.3200 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 -0.0412 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4903 1.1885 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6615 -0.2224 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0075 -2.4213 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0553 -2.7039 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5521 -1.7493 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4378 -4.4289 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1150 -4.7798 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 -1.8164 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -3.1828 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 -2.1673 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 -2.6226 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -2.7103 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 -3.5845 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 -5.5465 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -5.0942 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 -4.8447 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -6.0699 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -4.7316 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -4.3636 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 -2.1920 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -2.5818 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 0.9543 2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 -0.5739 3.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -1.1957 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 0.1568 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 1.3500 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 1.4352 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -2.1807 -2.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 0.4056 2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 1.8001 2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5111 2.4286 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 2.0946 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -0.1829 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 0.9739 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -0.9870 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 -0.8285 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9503 1.2932 -0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2657 1.3043 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2037 -0.8432 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3878 0.4524 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2204 -1.6545 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6942 -2.0037 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 -0.2366 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4373 -1.5828 -1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5686 0.5555 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1244 -0.2939 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1303 2.1364 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2015 2.8958 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2226 1.0568 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6792 0.1192 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6695 2.8949 2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7298 2.3742 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0476 -0.1053 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3570 -0.3682 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7209 1.0686 -1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4289 -0.6004 -1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9101 0.8059 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6501 0.4981 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2909 3.0777 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0038 2.8250 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3498 2.7106 -3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4608 4.0176 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1770 2.3731 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 6 27 91 1 0 27 92 1 0 31 93 1 0 32 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 M END