Mol:FL4DAGNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.6082 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 6 18 1 0 0 0 0 2 19 1 0 0 0 0 8 20 1 1 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 1 23 1 0 0 0 0 14 24 1 0 0 0 0 5 25 1 0 0 0 0 S SKP 8 ID FL4DAGNM0002 KNApSAcK_ID C00008597 NAME 3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone CAS_RN 101467-71-4 FORMULA C17H16O8 EXACTMASS 348.08451748799996 AVERAGEMASS 348.30413999999996 SMILES Oc(c1)c(O)c(O)cc1C(O2)C(O)C(=O)c(c(O)3)c2c(C)c(O)c(C)3 M END