Mol:FL2FCBGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -1.5250 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 1.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 0.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1439 1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 -0.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 1.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -1.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9170 -1.9303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2452 -1.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4721 -1.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0188 -1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 -1.3836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9893 -1.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -2.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 1.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -0.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 6 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 18 24 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 1 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 34 35 M SBL 3 1 37 M SMT 3 CH2OH M SVB 3 37 -2.8469 -0.9852 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 -1.8823 1.4049 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.957 2.0891 S SKP 8 ID FL2FCBGM0001 KNApSAcK_ID C00008264 NAME 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside CAS_RN 85687-90-7 FORMULA C25H30O10 EXACTMASS 490.18389718 AVERAGEMASS 490.49969999999996 SMILES O[C@H]([C@@H]1Oc(c4C)c(c3c(c4OC)C)C(=O)CC(O3)c(c2)ccc(OC)c2)[C@H]([C@@H](O)C(CO)O1)O M END