Mol:FLIAFLNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
− | -2.3617 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3617 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8054 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2491 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2491 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8054 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6928 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1365 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1365 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6928 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4196 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4196 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0144 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6092 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6092 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0144 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6928 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8054 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9178 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9178 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4752 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4752 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3413 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3413 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4753 -1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4753 -1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4755 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4755 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5274 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5274 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0909 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0909 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2034 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9178 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9178 -0.3455 0.0000 C 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 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
− | M SBL 4 1 28 | + | M SBL 4 1 28 |
− | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
− | M SVB 4 28 2.2034 0.067 | + | M SVB 4 28 2.2034 0.067 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
− | M SBL 3 1 26 | + | M SBL 3 1 26 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 26 -1.5274 1.5816 | + | M SVB 3 26 -1.5274 1.5816 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
− | M SBL 2 1 24 | + | M SBL 2 1 24 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 24 -0.2949 -0.8934 | + | M SVB 2 24 -0.2949 -0.8934 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 22 1.8461 -1.1691 | + | M SVB 1 22 1.8461 -1.1691 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAFLNS0001 | + | ID FLIAFLNS0001 |
− | KNApSAcK_ID C00009489 | + | KNApSAcK_ID C00009489 |
− | NAME Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone | + | NAME Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone |
− | CAS_RN 4968-78-9 | + | CAS_RN 4968-78-9 |
− | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
− | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
− | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
− | SMILES c(c(OC)1)(OC)cc(c(C(C2=O)=COc(c3OC)c(c(O)cc3O)2)c1)OC | + | SMILES c(c(OC)1)(OC)cc(c(C(C2=O)=COc(c3OC)c(c(O)cc3O)2)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3617 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 -1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 -0.3455 0.0000 C 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 8 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 1 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 2.2034 0.067 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -1.5274 1.5816 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -0.2949 -0.8934 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 1.8461 -1.1691 S SKP 8 ID FLIAFLNS0001 KNApSAcK_ID C00009489 NAME Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone CAS_RN 4968-78-9 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c(OC)1)(OC)cc(c(C(C2=O)=COc(c3OC)c(c(O)cc3O)2)c1)OC M END