Mol:FL4DCDNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9244 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1591 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3618 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 0.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 2.5525 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 15 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 16 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 1.4806 1.6478 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 -2.2817 0.474 S SKP 8 ID FL4DCDNS0001 KNApSAcK_ID C00008581 NAME Taxifolin 7,3'-dimethyl ether CAS_RN 37971-67-8 FORMULA C17H16O7 EXACTMASS 332.089602866 AVERAGEMASS 332.30474 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(OC)c(O)c2 M END