Mol:LBF20406HP02
From Metabolomics.JP
<pre> 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 0.9043 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 -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 0.0930 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -0.8803 0.0000 O 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 2.0847 0.9351 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 -0.5725 0.3572 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 23 1 0 0 0 0 24 6 1 4 0 0 0 1 8 1 0 0 0 0 2 11 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 5 12 1 0 0 0 0 12 6 1 4 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 4 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 2 21 2 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 7 24 2 0 0 0 0 S SKP 5 ID LBF20406HP02 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CCC=CC=CC(OO)CC=CCCCC(O)=O)CCC M END
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