Mol:FL5FFCGS0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2334 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2334 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5187 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5187 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8038 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8038 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8038 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8038 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5187 1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5187 1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0890 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0890 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6257 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6257 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6257 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6257 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0890 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0890 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0890 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0890 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2988 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0273 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0273 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7558 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7558 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7558 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7558 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0273 2.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0273 2.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2988 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5187 -1.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5187 -1.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5354 2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5354 2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8519 1.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8519 1.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4869 -0.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4869 -0.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0273 3.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0273 3.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5187 1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5187 1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6578 3.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6578 3.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5596 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5596 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8312 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8312 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2538 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4300 2.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4300 2.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1089 2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1089 2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3982 3.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3982 3.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1171 2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1171 2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5720 1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5720 1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1989 3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1989 3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6956 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6956 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9490 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9490 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6247 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6247 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0033 -2.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0033 -2.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7499 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7499 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0743 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0743 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1847 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1847 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9241 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9241 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9673 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9673 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7128 -3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7128 -3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3982 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3982 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3940 -3.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3940 -3.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7436 3.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7436 3.6263 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 |
− | 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 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
− | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
− | 35 21 1 0 0 0 0 | + | 35 21 1 0 0 0 0 |
− | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
− | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
− | 33 46 1 0 0 0 0 | + | 33 46 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFCGS0007 | + | ID FL5FFCGS0007 |
− | FORMULA C27H28O19 | + | FORMULA C27H28O19 |
− | EXACTMASS 656.122478714 | + | EXACTMASS 656.122478714 |
− | AVERAGEMASS 656.49982 | + | AVERAGEMASS 656.49982 |
− | SMILES O(C1OC(C(=O)3)=C(Oc(c(OC(C5O)OC(C(C(O)5)O)CO)4)c(c(O)cc4O)3)c(c2)ccc(c2O)O)C(C(C(C1O)O)O)C(O)=O | + | SMILES O(C1OC(C(=O)3)=C(Oc(c(OC(C5O)OC(C(C(O)5)O)CO)4)c(c(O)cc4O)3)c(c2)ccc(c2O)O)C(C(C(C1O)O)O)C(O)=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/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.2334 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7558 1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7558 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 2.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -1.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 1.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4869 -0.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 3.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 3.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 2.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 2.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3982 3.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 2.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -2.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7128 -3.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -3.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 3.6263 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 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 6 23 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 29 1 0 0 0 0 29 24 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 29 33 1 0 0 0 0 23 27 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 40 1 0 0 0 0 39 41 1 0 0 0 0 35 21 1 0 0 0 0 37 43 1 0 0 0 0 38 42 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 33 46 1 0 0 0 0 S SKP 5 ID FL5FFCGS0007 FORMULA C27H28O19 EXACTMASS 656.122478714 AVERAGEMASS 656.49982 SMILES O(C1OC(C(=O)3)=C(Oc(c(OC(C5O)OC(C(C(O)5)O)CO)4)c(c(O)cc4O)3)c(c2)ccc(c2O)O)C(C(C(C1O)O)O)C(O)=O M END