Mol:FLIAEAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.9370 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6712 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6712 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 1.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -0.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 -0.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 -0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 -0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -0.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 0.3361 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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 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 18 15 1 0 0 0 0 10 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 18 20 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 23 28 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 9 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 ^OCH3 M SBV 1 32 -5.7157 4.1692 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 CH2OH M SBV 2 34 -5.6745 3.3627 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 36 M SMT 3 ^OCH3 M SBV 3 36 -6.2170 3.2616 S SKP 8 ID FLIAEAGS0005 KNApSAcK_ID C00010126 NAME 7-O-Methyltectorigenin 4'-O-glucoside CAS_RN 19316-92-8 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES c(c3OC(C(O)4)OC(CO)C(O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O M END