Mol:FL4DEANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.7458 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3377 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1832 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -0.0698 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 15 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 1 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 -2.4603 -0.3182 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 -2.103 0.7188 S SKP 8 ID FL4DEANS0003 KNApSAcK_ID C00008565 NAME 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone CAS_RN 75457-73-1 FORMULA C17H16O7 EXACTMASS 332.089602866 AVERAGEMASS 332.30474 SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1O[C@H](c(c3)ccc(O)c3)[C@@H](O)2 M END