Mol:FL4DAINS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.0215 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0621 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4588 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -1.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 -0.8444 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 15 19 1 0 0 0 0 2 20 1 0 0 0 0 8 21 1 1 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.8274 -0.0505 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 1.3835 1.6478 S SKP 8 ID FL4DAINS0001 KNApSAcK_ID C00008591 NAME Dihydrosyringetin CAS_RN 38690-67-4 FORMULA C17H16O8 EXACTMASS 348.08451748799996 AVERAGEMASS 348.30413999999996 SMILES COc(c1)c(O)c(OC)cc1[C@@H](O2)[C@@H](O)C(=O)c(c(O)3)c(cc(O)c3)2 M END