HMDB0010382 RDKit 3D LysoPC(16:0/0:0) 83 82 0 0 0 0 0 0 0 0999 V2000 12.8667 0.8559 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7186 0.2174 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 1.2810 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 0.6850 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8269 0.0022 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 -0.5707 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 0.4487 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -0.1685 -2.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8475 -0.8780 -1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 0.0752 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 -0.6341 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 -1.2547 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.2513 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 0.7960 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 0.1683 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 -0.5362 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -1.7219 -0.6568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 0.1922 -0.7437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 -0.3133 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 -1.3666 -0.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5885 -2.4850 -0.3971 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9738 -0.8345 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 -1.8259 0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6597 -1.2760 2.3171 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.5183 -2.4252 2.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 -0.9669 3.4995 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.5466 0.0592 1.8706 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8487 -0.2531 1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6218 0.9657 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9559 0.6825 0.6790 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.3400 1.5193 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9343 0.9293 1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0872 -0.7060 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 0.0802 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4722 1.1726 2.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2790 1.7444 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 -0.2690 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1474 -0.5425 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7077 1.7562 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6169 2.0483 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 1.5134 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2535 -0.0389 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3005 -0.7887 0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 0.7396 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1048 -1.3791 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 -1.0996 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6361 1.2783 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 0.8955 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 0.6421 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3331 -0.8942 -3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -1.2445 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2426 -1.7307 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 0.9603 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 0.4344 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 0.0706 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 -1.4376 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -1.7510 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -2.0520 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 -0.8028 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.2095 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1464 1.5312 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 1.3166 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -0.5304 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 0.9868 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 0.4895 -1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.7793 -2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 -1.7171 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 -3.2014 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6105 0.0105 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 -0.4519 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3412 -0.7002 2.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8574 -1.0264 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1314 1.5469 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 1.6865 1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9904 1.0450 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4651 1.5587 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9423 2.5474 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8033 1.8919 2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9740 0.0692 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9336 0.9424 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 -1.3770 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4344 -0.9015 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1643 -0.8719 -0.0053 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 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 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 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 19 65 1 0 19 66 1 0 20 67 1 6 21 68 1 0 22 69 1 0 22 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 31 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 33 83 1 0 M CHG 2 26 -1 30 1 M END