HMDB0011475 RDKit 3D LysoPE(0:0/18:1(11Z)) 78 77 0 0 0 0 0 0 0 0999 V2000 -9.7386 0.5621 2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1318 1.8022 1.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2860 1.7653 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1915 1.5337 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3394 0.3984 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4432 -0.1934 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5875 -1.2850 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2966 -1.1530 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5235 -0.0602 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6669 0.6527 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 -0.2055 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 -0.8138 -0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -1.6612 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.2973 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 -1.2561 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 -1.9305 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -2.7740 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 -1.9100 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -1.6017 -1.8855 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 -1.4240 -0.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -0.6084 -1.4491 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9434 -1.3598 -1.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 -2.6277 -2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 0.6678 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9382 0.2235 0.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5477 1.4597 1.2305 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8477 0.8709 2.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4505 2.7094 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0014 1.9722 0.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9416 2.1583 1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2668 2.6152 0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8232 1.6739 0.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1172 -0.3081 1.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2628 0.5462 3.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6719 0.4542 2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3154 2.5744 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0325 2.2954 2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7157 2.8216 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1869 1.0962 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5241 1.9077 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 2.4329 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9831 -0.4414 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 0.6092 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1257 -0.8564 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9398 0.4392 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1025 -2.1570 -1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 -1.9783 -1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 0.7162 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -0.5206 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2891 1.1622 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 1.4665 -0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 0.4613 -2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 -0.9749 -2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -1.4270 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 0.0061 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 -1.1062 -2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -2.5213 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -2.9673 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 -2.9198 0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 -0.6019 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4206 -0.5987 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 -1.1384 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -2.5481 1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -3.6109 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 -3.1916 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 -0.4300 -2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 -0.7822 -2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5264 -1.4873 -0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -3.2855 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 1.0444 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5244 1.3853 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 3.6164 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 2.9967 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 1.2470 2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 3.6129 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9718 2.7538 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3973 0.9327 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 1.3706 -0.6810 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 2 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 21 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 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 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 21 66 1 6 22 67 1 0 22 68 1 0 23 69 1 0 24 70 1 0 24 71 1 0 28 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 M END