Mol:LBF15306CV02
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 0 0 0 0 0 0999 V2000 -1.5200 1.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 -0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 -0.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7892 -1.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 1.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 0.4462 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 6 15 2 0 3 16 1 1 16 17 1 0 17 18 1 0 17 19 2 0 1 20 1 0 20 21 1 0 20 22 2 0
S SKP 6 ID LBF15306CV02 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
