Mol:FL4DAGNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.4888 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 -1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0599 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 -0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 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 4 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 6 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 S SKP 8 ID FL4DAGNS0002 KNApSAcK_ID C00014369 NAME Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone CAS_RN 119439-94-0 FORMULA C15H12O8 EXACTMASS 320.05321735999996 AVERAGEMASS 320.25098 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c(O)2 M END
</pre>