Mol:LBF18304HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -2.9426 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 1.7919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1278 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 2.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 -1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 20 21 1 0 0 0 0 4 5 1 0 0 0 0 5 22 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 4 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 6 13 1 0 0 0 0 10 19 1 0 0 0 0 13 14 1 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 3 20 2 0 0 0 0 4 21 2 0 0 0 0 6 22 2 0 0 0 0 S SKP 5 ID LBF18304HP01 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O M END