HMDB0240606 RDKit 3D LysoPS(18:0/0:0) 83 82 0 0 0 0 0 0 0 0999 V2000 9.7973 1.9488 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8916 0.8755 -1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7992 1.5487 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4727 2.2703 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3035 1.3221 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 0.2665 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -0.6237 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -1.7261 1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 -2.6537 1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 -1.9680 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3003 -1.3229 2.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -0.5438 2.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.1160 2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -1.4203 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -2.0722 1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -1.1853 2.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 0.1115 1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 -0.2372 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -0.2688 -0.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -0.5321 -0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -0.8667 -1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 0.2679 -2.2937 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2428 -0.1913 -3.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 1.4645 -1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7149 1.0717 -1.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6241 2.3470 -0.8276 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.8122 3.2546 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3049 3.2638 -2.0885 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9034 1.6817 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1838 0.4385 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3079 -0.2368 0.2978 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6251 -1.5229 -0.2532 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5020 0.6428 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6215 0.2254 -0.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4537 1.9309 0.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 2.9566 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5344 1.7429 -3.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7872 2.0112 -3.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0737 0.1520 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8957 0.3597 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 2.3115 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9458 0.8485 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 2.9682 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 2.8774 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 1.9562 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2193 0.8616 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 0.7039 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2401 -0.3354 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 -1.0547 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 0.0237 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 -2.2602 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 -1.2398 2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9309 -3.1304 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 -3.4554 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -2.8870 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -1.4082 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -2.1712 3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -0.6105 2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.0861 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 0.4035 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -1.9949 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.3343 3.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 -1.9549 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 -0.4419 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 -2.2943 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -3.0365 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -1.6694 2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -1.0117 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 0.7192 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 0.7636 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -1.7842 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -1.0549 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.5788 -2.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1465 -0.5240 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 1.7975 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 2.3066 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0724 2.7796 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4539 0.5968 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2643 -0.1926 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9905 -0.3711 1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8384 -2.1744 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9012 -1.4558 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5244 2.7706 0.2487 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 21 71 1 0 21 72 1 0 22 73 1 6 23 74 1 0 24 75 1 0 24 76 1 0 28 77 1 0 30 78 1 0 30 79 1 0 31 80 1 1 32 81 1 0 32 82 1 0 35 83 1 0 M END