HMDB0011483 RDKit 3D LysoPE(0:0/20:2(11Z,14Z)) 82 81 0 0 0 0 0 0 0 0999 V2000 11.9333 -1.1060 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4626 0.3263 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 0.6467 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 -0.1645 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 0.0048 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 1.4041 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7576 1.7685 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 0.8412 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 0.8372 -1.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1766 -1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 1.5900 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 0.6501 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -0.7355 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 -1.7481 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -1.9148 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -2.9602 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -2.6035 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 -1.3094 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 -1.4047 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 -0.1218 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 0.8223 0.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 0.0370 1.7026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.2549 1.7914 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7203 1.8016 3.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 0.9518 4.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3711 0.9108 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5776 0.3469 0.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1724 -0.0478 0.0039 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.0267 0.2444 1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3476 -1.6832 -0.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7328 0.8886 -1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9792 0.3310 -1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5033 1.1535 -2.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5573 1.0666 -3.8849 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -1.1369 -1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3277 -1.4007 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -1.7987 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3925 0.9526 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9812 0.5816 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 0.5284 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3796 1.7223 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 -1.2453 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 0.1031 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 -0.2010 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6987 -0.7639 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7428 2.2126 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 2.8178 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 1.1867 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -0.2148 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 0.5478 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 1.1352 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 2.6143 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 1.7302 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 1.0255 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.7212 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -1.0444 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -0.6595 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -1.5420 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -2.7371 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -2.2558 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 -0.9918 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -3.0829 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -3.9501 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 -3.4031 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.6236 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 -0.4328 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -1.1592 2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0257 -1.5649 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0255 -2.2703 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5221 2.0197 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 2.0407 3.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 2.7684 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0142 1.2754 4.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8043 0.3397 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9331 1.8920 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4693 -2.1525 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8791 -0.7297 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6232 0.4058 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6507 2.2030 -2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4962 0.7157 -3.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0212 0.5926 -4.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6807 0.5380 -3.5985 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 23 70 1 6 24 71 1 0 24 72 1 0 25 73 1 0 26 74 1 0 26 75 1 0 30 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 M END