Mol:LBF20406HP03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 23 0 0 1 0 0 0 0 0999 V2000 -3.2539 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5725 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 3 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 24 23 1 4 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 4 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 14 1 0 0 0 0 2 17 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 5 18 1 0 0 0 0 18 6 1 4 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 2 0 0 0 0 4 22 2 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 S SKP 5 ID LBF20406HP03 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(O)=O)CCC M END