Mol:FL4DACGS0020
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.9782 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9782 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6774 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2559 0.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2559 0.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8379 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8379 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1388 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1388 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5602 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5602 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4196 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7984 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7984 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5728 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5728 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.4020 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4020 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6926 -0.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6926 -0.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6926 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6926 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1693 -1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1693 -1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6598 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6598 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2011 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2011 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2051 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2051 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7504 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7504 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 31 14 1 0 0 0 0 | + | 31 14 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 34 37 2 0 0 0 0 | + | 34 37 2 0 0 0 0 |
− | 36 38 2 0 0 0 0 | + | 36 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 36 1 0 0 0 0 | + | 42 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DACGS0020 | + | ID FL4DACGS0020 |
− | KNApSAcK_ID C00008712 | + | KNApSAcK_ID C00008712 |
− | NAME Taxifolin 3'-(6''-phenylacetylglucoside) | + | NAME Taxifolin 3'-(6''-phenylacetylglucoside) |
− | CAS_RN 95519-27-0 | + | CAS_RN 95519-27-0 |
− | FORMULA C29H28O13 | + | FORMULA C29H28O13 |
− | EXACTMASS 584.152990982 | + | EXACTMASS 584.152990982 |
− | AVERAGEMASS 584.52482 | + | AVERAGEMASS 584.52482 |
− | SMILES c(c1)(O)cc(c(C(=O)2)c1OC(c(c3)ccc(O)c(OC(O4)C(O)C(C(C(COC(Cc(c5)cccc5)=O)4)O)O)3)C2O)O | + | SMILES c(c1)(O)cc(c(C(=O)2)c1OC(c(c3)ccc(O)c(OC(O4)C(O)C(C(C(COC(Cc(c5)cccc5)=O)4)O)O)3)C2O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -4.2998 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 0.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7504 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 0.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 0.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -0.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 -1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -0.2998 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 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 31 1 0 0 0 0 31 14 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 37 2 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 36 1 0 0 0 0 S SKP 8 ID FL4DACGS0020 KNApSAcK_ID C00008712 NAME Taxifolin 3'-(6''-phenylacetylglucoside) CAS_RN 95519-27-0 FORMULA C29H28O13 EXACTMASS 584.152990982 AVERAGEMASS 584.52482 SMILES c(c1)(O)cc(c(C(=O)2)c1OC(c(c3)ccc(O)c(OC(O4)C(O)C(C(C(COC(Cc(c5)cccc5)=O)4)O)O)3)C2O)O M END