Mol:LBF15306CV01
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 0 0 0 0 0 0999 V2000 -1.5200 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 -0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 -0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -0.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 2.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 2.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 1.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 -1.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 -1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -2.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 1 0 2 1 2 0 3 7 1 0 8 7 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 15 17 2 0 1 15 1 0 6 18 2 0 3 19 1 1 19 20 1 0 20 21 1 0 20 22 2 0
S SKP 6 ID LBF15306CV01 FORMULA C17H22O4 EXACTMASS 290.151809192 AVERAGEMASS 290.35418 SMILES CCCCCC=CC[C@](OC(C)=O)(C=1)C(=CC=O)C(=O)C1 AUTODRAW FALSE M END
