HMDB0240605 RDKit 3D LysoPS(16:0/0:0) 77 76 0 0 0 0 0 0 0 0999 V2000 -9.8295 1.4377 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4357 0.0074 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5468 0.1202 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0961 -1.2318 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2016 -1.2472 2.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7968 -0.8866 2.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2317 0.3370 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 0.2811 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6043 1.5719 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 1.9222 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 0.8332 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 0.6316 -1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 -0.4176 -2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -0.4400 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -0.7376 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 -0.7150 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.1877 0.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -1.6638 -1.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -1.9198 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 -1.0173 -1.9914 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6873 -0.6587 -3.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 0.0755 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 -0.4189 0.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 0.7617 1.0690 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5797 2.1393 0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 0.7796 2.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 0.3105 1.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1835 1.0008 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6283 0.5659 0.6150 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5278 1.2729 -0.2512 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7414 -0.9134 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 -1.7035 0.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6607 -1.3895 -0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9834 1.9377 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7118 1.4958 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0849 1.9515 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3163 -0.6146 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8437 -0.3635 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2994 0.5046 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8063 0.8746 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6392 -1.7353 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0372 -1.7999 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7343 -0.6712 3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2579 -2.3161 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4577 -0.9673 3.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -1.8088 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 0.5369 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 1.2467 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -0.4838 0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9794 -0.0833 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 1.5417 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 2.4087 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 2.0525 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 2.8473 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 -0.0516 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 1.3386 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 0.5242 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 1.6489 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 -0.4351 -3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 -1.4587 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -1.1489 -2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 0.5569 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -1.7647 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -0.0694 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 -2.1340 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -2.9392 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 -1.6932 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 0.1948 -3.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 0.9633 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6229 0.3986 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 1.1486 3.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 2.0949 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9159 0.7092 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9766 0.7231 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0666 2.0057 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0308 1.6899 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4273 -1.9549 -0.2010 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 29 31 1 0 31 32 2 0 31 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 26 71 1 0 28 72 1 0 28 73 1 0 29 74 1 1 30 75 1 0 30 76 1 0 33 77 1 0 M END