Mol:FL3FAADS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.6238 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4888 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4888 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 -0.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 -1.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 -1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 1.0699 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 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 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 12 1 0 0 0 0 35 39 1 0 0 0 0 39 40 1 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 43 M SMT 1 ^CH2OH M SBV 1 43 -6.0713 6.4854 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 -5.1575 5.9987 S SKP 8 ID FL3FAADS0003 KNApSAcK_ID C00006215 NAME Vitexin 7-O-glucoside CAS_RN 35109-95-6 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C1O)(C(C(c(c24)c(OC(C5O)OC(C(O)C5O)CO)cc(c(C(=O)C=C(O4)c(c3)ccc(O)c3)2)O)OC1CO)O)O M END