HMDB0011441 RDKit 3D PE(P-18:1(9Z)/18:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 5.5133 1.3766 3.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 2.0825 4.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 2.8027 5.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 2.0158 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5397 1.4039 6.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 2.5203 6.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 2.0486 6.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 1.2187 5.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 1.9757 4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 2.1324 3.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 1.5860 4.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 0.6374 2.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.0013 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 -0.9111 2.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -0.3109 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 0.6817 0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 1.9342 1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 3.0913 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 3.1533 -0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9314 4.2306 -1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 3.9388 -2.8151 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9163 2.7089 -3.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 2.4561 -4.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 1.1124 -5.4538 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5149 1.5653 -6.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 0.1908 -4.5943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 0.1906 -5.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 0.8994 -6.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 0.1046 -7.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -0.1668 -6.1315 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 3.7612 -2.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 4.4966 -3.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 5.4600 -3.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 4.1479 -2.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5289 2.8016 -1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 1.7009 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 0.3805 -2.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 0.0300 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 -1.3263 -0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7952 -1.6671 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 -2.9745 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 -3.9803 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -3.9376 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 -5.0130 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -4.7306 -2.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -5.7337 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -7.1441 -3.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -7.3158 -1.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -8.7750 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 -8.9868 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 1.4441 2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 0.2780 3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 1.8420 3.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 2.8891 3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5264 1.3913 4.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 3.3426 5.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 3.6528 5.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 1.2391 6.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 2.6868 7.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 0.6467 5.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.9520 7.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 3.1270 7.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 3.2079 5.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 2.9632 6.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9874 1.4573 7.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 0.7312 5.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 0.4240 5.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 2.4419 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 2.7205 2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 1.0242 4.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 2.4419 4.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 1.2010 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6642 -0.1917 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 0.7395 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4575 -0.6886 4.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 -1.4160 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 -1.7714 2.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 0.0328 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -1.1805 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2614 0.1171 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1837 0.9253 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6624 1.9989 2.3259 H 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -9.3865 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 -9.1051 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -9.2666 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 -8.0752 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -9.7993 0.3407 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 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 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 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 6 63 1 0 7 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 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 20 84 1 0 20 85 1 0 21 86 1 6 22 87 1 0 22 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END