Mol:FL5FAAGS0046
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -3.5754 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5754 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5754 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5754 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8608 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8608 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1464 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1464 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1464 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1464 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8608 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8608 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4321 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4321 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7176 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7176 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7176 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7176 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4321 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4321 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4321 -0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4321 -0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0035 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0035 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7246 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7246 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4527 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4527 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4527 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4527 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7246 3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7246 3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0035 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0035 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8608 -0.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8608 -0.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4719 3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4719 3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2109 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2109 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2741 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2741 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8422 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8422 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6603 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6603 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5552 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5552 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9404 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9404 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1603 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1603 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4875 0.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4875 0.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9565 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9565 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1168 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1168 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5772 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5772 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8874 -0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8874 -0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6314 -1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6314 -1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6314 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6314 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3740 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3740 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3740 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3740 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9867 -3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9867 -3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5993 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5993 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5993 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5993 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9867 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9867 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2109 -3.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2109 -3.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0724 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0724 -1.1804 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 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
− | 31 41 2 0 0 0 0 | + | 31 41 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGS0046 | + | ID FL5FAAGS0046 |
− | FORMULA C29H24O12 | + | FORMULA C29H24O12 |
− | EXACTMASS 564.126776232 | + | EXACTMASS 564.126776232 |
− | AVERAGEMASS 564.49366 | + | AVERAGEMASS 564.49366 |
− | SMILES C(=C(OC(O4)C(OC(=O)C=Cc(c5)ccc(c5)O)C(C(O)C4)O)3)(Oc(c2C3=O)cc(cc(O)2)O)c(c1)ccc(O)c1 | + | SMILES C(=C(OC(O4)C(OC(=O)C=Cc(c5)ccc(c5)O)C(C(O)C4)O)3)(Oc(c2C3=O)cc(cc(O)2)O)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.5754 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -0.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -0.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 3.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9565 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5993 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5993 -2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -3.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -1.1804 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 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 27 8 1 0 0 0 0 24 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 31 41 2 0 0 0 0 S SKP 5 ID FL5FAAGS0046 FORMULA C29H24O12 EXACTMASS 564.126776232 AVERAGEMASS 564.49366 SMILES C(=C(OC(O4)C(OC(=O)C=Cc(c5)ccc(c5)O)C(C(O)C4)O)3)(Oc(c2C3=O)cc(cc(O)2)O)c(c1)ccc(O)c1 M END