Mol:LBF18206HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -2.4064 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5372 2.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1773 2.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 -1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 3 1 0 0 0 0 3 4 1 4 0 0 0 22 4 1 4 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 5 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 4 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 2 0 0 0 0 5 22 2 0 0 0 0 S SKP 5 ID LBF18206HP03 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCC=CC(OO)CC=CCCCCCCCC(O)=O M END