HMDB0008640 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) 144143 0 0 0 0 0 0 0 0999 V2000 9.9804 1.5302 -2.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 0.9676 -1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0059 -0.1622 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0903 -0.6844 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 -1.8466 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2061 -2.2747 1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3548 -2.3201 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -1.9638 2.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 -1.5634 1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -0.3656 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8362 0.7103 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 1.9246 1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 3.0598 1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 3.2295 1.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 3.7141 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 4.7905 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 5.7171 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 5.7461 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 4.3178 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 3.8157 3.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2061 2.3592 3.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 1.9294 2.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 2.7597 2.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 0.5504 2.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 0.2272 2.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.2766 2.3460 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2676 -1.9292 1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 -3.2955 1.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -4.0837 0.6526 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9288 -4.8533 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -2.8720 0.0358 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3718 -5.1414 1.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 -5.3590 2.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.3002 3.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -6.6245 4.9309 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9062 -5.4785 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -7.6786 4.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -7.1358 5.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -1.5004 1.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7214 -2.2249 2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 -2.8229 3.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9635 -2.2977 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7746 -3.2777 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -2.8307 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7969 -1.4811 -1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7941 -1.1247 -2.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5888 -1.9505 -3.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 -1.7670 -4.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -0.9710 -4.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -0.0044 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 -0.2068 -2.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 0.7845 -3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 2.0937 -3.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 3.1741 -2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 4.2609 -2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 4.5909 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 5.7984 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 7.1145 -4.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 7.4050 -2.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 7.1513 -3.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 2.2342 -2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8187 0.6841 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 1.9940 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 0.6310 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 1.7854 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 0.3187 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1536 -0.9420 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9545 0.0747 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -1.1721 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5304 -2.6512 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 -1.5393 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2627 -2.6387 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7759 -2.7078 3.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 -1.3092 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4315 -2.9489 3.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 -2.3244 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 -0.1930 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 0.8336 2.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 0.4158 3.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 1.9101 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 3.9782 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 3.9206 2.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 2.3142 2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 3.0547 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 5.0566 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1757 6.7948 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 5.4898 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 6.3415 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 6.0514 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 4.2833 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 3.6155 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 4.3545 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 4.0439 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 2.0364 4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 1.7559 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 0.6656 3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 0.6673 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 -1.7238 3.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -1.5566 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 -1.6578 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 -5.8931 2.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -4.4160 3.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 -5.9064 3.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 -7.2429 3.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 -5.8600 6.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -4.9619 5.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -4.7440 5.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 -7.2404 4.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 -8.0476 5.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -8.5041 4.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 -6.3024 5.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -7.3484 6.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -7.9914 5.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7504 -2.7361 2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2159 -1.2815 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4774 -4.2380 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6736 -3.3404 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 -2.8803 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 -3.6020 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9804 -0.6585 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0006 -0.0356 -2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 -3.0384 -3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5814 -1.9386 -4.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 -2.4489 -5.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7869 -1.0113 -5.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7537 -0.3672 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4918 1.0094 -3.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 -1.1701 -2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.6514 -2.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 2.2904 -4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 2.0572 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8602 3.0878 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 4.9790 -2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 4.8441 -3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 3.7549 -4.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 5.6056 -5.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5921 5.8754 -5.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 7.3270 -3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 7.9057 -4.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 8.5831 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 7.0987 -1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 6.1535 -2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 7.2316 -4.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 7.9259 -2.5966 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 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 1 27 99 1 0 27100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 36105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 38113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 31 -1 35 1 M END