Mol:LBGAUC0N01
Copyright: ARM project http://www.metabolome.jp/
57 56 0 0 0 0 0 0 0 0999 V2000 -6.5535 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0706 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 2.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6399 2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9161 0.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 1.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7727 2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3441 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6298 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9153 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5903 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3441 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8417 -1.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -1.9286 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 -1.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -1.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 -1.9286 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9377 -1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 -2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 -1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 1 0 8 7 1 0 9 8 2 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 2 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 2 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 2 0 23 22 1 0 24 23 2 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 2 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 2 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 2 0 5 22 1 0 9 37 1 0 13 38 1 0 17 39 1 0 21 40 1 0 24 41 1 0 28 42 1 0 32 43 1 0 36 44 1 0 21 45 1 0 36 46 1 0 47 48 1 0 48 49 1 0 48 50 1 0 48 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 47 1 1 0
M CHG 1 54 1 S SKP 6 AUTODRAW FALSE ID YET sAR03001 FORMULA C48H85NO6P EXACTMASS 802.6114509670001 AVERAGEMASS 803.165401 SMILES C(OP(OCC[N+1](C)(C)C)(O)=O)C(OCC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C)([H])COCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C M END
