Mol:FL5FDCNM0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.6778 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7558 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4726 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 10 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 11 23 1 0 0 0 0 13 24 1 0 0 0 0 20 25 1 0 0 0 0 S SKP 8 ID FL5FDCNM0004 KNApSAcK_ID C00013510 NAME 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one CAS_RN 181884-08-2 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c3C)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O M END
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