Mol:FL2FE8NS0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8688 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1543 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1543 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1543 -2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -0.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 -1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 S SKP 8 ID FL2FE8NS0006 KNApSAcK_ID C00014133 NAME Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone CAS_RN 161748-44-3 FORMULA C17H16O7 EXACTMASS 332.089602866 AVERAGEMASS 332.30474 SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)c(O)ccc(O)2 M END
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