Mol:FL3FAGGS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -3.3973 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3973 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3973 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3973 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9462 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9462 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4951 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4951 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4951 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4951 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9462 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9462 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0441 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0441 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5930 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5930 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5930 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5930 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0441 0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0441 0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0441 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0441 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1421 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6824 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6824 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2227 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2227 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2227 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2227 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6824 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6824 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1421 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1421 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9462 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9462 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8501 0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8501 0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6824 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6824 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2370 0.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2370 0.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2370 -0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2370 -0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5157 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5157 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1280 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1280 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8735 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6235 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6235 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0112 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0112 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2657 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2657 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7957 0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7957 0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5726 0.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5726 0.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5706 -0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5706 -0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1356 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1356 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8501 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8501 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
− | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 35 -8.5074 3.5388 | + | M SBV 1 35 -8.5074 3.5388 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAGGS0003 | + | ID FL3FAGGS0003 |
− | KNApSAcK_ID C00004453 | + | KNApSAcK_ID C00004453 |
− | NAME Tricetin 3'-glucoside | + | NAME Tricetin 3'-glucoside |
− | CAS_RN 22149-72-0 | + | CAS_RN 22149-72-0 |
− | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
− | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
− | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
− | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(OC(O3)C(O)C(O)C(O)C3CO)c(O)c(O)2)O1 | + | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(OC(O3)C(O)C(O)C(O)C3CO)c(O)c(O)2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.3973 -0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4951 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4951 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0112 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7957 0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 0.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 -0.7420 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 9 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 22 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -8.5074 3.5388 S SKP 8 ID FL3FAGGS0003 KNApSAcK_ID C00004453 NAME Tricetin 3'-glucoside CAS_RN 22149-72-0 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(OC(O3)C(O)C(O)C(O)C3CO)c(O)c(O)2)O1 M END