Mol:FL4DACGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.9386 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9386 0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8550 0.3597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3759 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 -1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3893 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 -0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6444 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0659 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8169 -0.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2384 -0.3225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9023 -0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 -2.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 -2.9016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8120 -2.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0847 -3.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 -3.8882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6221 -4.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3496 -3.5366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7141 -2.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -3.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 -4.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 -4.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -5.3983 0.0000 O 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 7 11 2 0 0 0 0 9 12 1 6 0 0 0 12 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 12 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 16 32 1 0 0 0 0 19 23 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 33 35 1 0 0 0 0 34 40 1 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 43 44 M SBL 1 1 47 M SMT 1 CH2OH M SVB 1 47 4.3893 -2.1854 S SKP 8 ID FL4DACGS0022 KNApSAcK_ID C00008714 NAME Taxifolin 3-galactosyl-(1->6)-glucoside CAS_RN 141736-93-8 FORMULA C27H32O17 EXACTMASS 628.163949598 AVERAGEMASS 628.53278 SMILES c(c(O)1)c(O4)c(C([C@@H]([C@H]4c(c5)ccc(O)c5O)O[C@H](O2)C(C(O)[C@H]([C@@H](CO[C@@H](C3O)O[C@@H]([C@@H](C(O)3)O)CO)2)O)O)=O)c(O)c1 M END