Mol:LBF20408LX01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.2106 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3575 -0.4132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0711 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0697 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 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 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 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 12 20 1 1 0 0 0 9 21 1 6 0 0 0 10 22 1 1 0 0 0 15 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 S SKP 5 ID LBF20408LX01 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CCC(O)C(O)C=CC=CC=CC=CC(CCCC(O)=O)O)CC M END
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