Mol:FL4DF8NS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.6577 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4258 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0950 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5149 1.5848 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 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 8 18 1 1 0 0 0 2 19 1 0 0 0 0 17 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.0149 0.7188 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -0.4784 0.6369 S SKP 8 ID FL4DF8NS0001 KNApSAcK_ID C00008567 NAME 3,5,2'-Trihydroxy-7,8-dimethoxyflavanone CAS_RN 110065-75-3 FORMULA C17H16O7 EXACTMASS 332.089602866 AVERAGEMASS 332.30474 SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)c(O)ccc2 M END
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