Mol:LBPR02010019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 18 0 0 0 0 0 0 0 0999 V2000 -2.4403 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4403 0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 4 13 1 0 0 0 0 1 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 15 1 0 0 0 0 S SKP 5 ID LBPR02010019 FORMULA C14H20O4 EXACTMASS 252.13615912799997 AVERAGEMASS 252.30620000000002 SMILES CCCCCc(c(C)1)c(=O)c(OC)c(OC)c(=O)1 M END