Mol:E-Cinnamic acid
From Metabolomics.JP
ACD/Labs11100714412D 11 11 0 0 0 0 0 0 0 0 1 V2000 22.6402 -12.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4883 -11.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7920 -11.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0956 -10.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0956 -11.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9437 -9.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9437 -12.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7920 -10.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3365 -12.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1846 -11.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3365 -13.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 S SKP 5 ID E-Cinnamic acid FORMULA C9H8O2 EXACTMASS 148.0524295 AVERAGEMASS 148.15861999999998 SMILES OC(=O)C=Cc(c1)cccc1 M END