Mol:LBF18207HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 20 0 0 1 0 0 0 0 0999 V2000 -0.7951 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8381 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2671 -0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5526 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6826 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2671 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 1 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 4 0 0 0 S SKP 5 ID LBF18207HO02 FORMULA C18H32O3 EXACTMASS 296.23514489 AVERAGEMASS 296.44488 SMILES CCCCCC(O)C=CC=CCCCCCCCC(O)=O M END