Mol:LBF20503HO02
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000 2.5547 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 10 23 1 1
S SKP 6 ID LBF20503HO02 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CC=C[C@H](CC=CCCCC(O)=O)O)=CCC AUTODRAW FALSE M END
