Mol:FL2F9ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -2.2601 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6604 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 0.9130 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 2 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 4 1 0 0 0 0 10 12 1 0 0 0 0 8 13 2 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -4.7189 7.5830 S SKP 8 ID FL2F9ANS0001 KNApSAcK_ID C00008391 NAME 5,6-Dihydroxy-4'-methoxyflavanone CAS_RN 123067-26-5 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1 M END