Mol:FL5FA8GL0002
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 |
− | -3.3640 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3640 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3640 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3640 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6627 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6627 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9616 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9616 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9616 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9616 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6627 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6627 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2605 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5594 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5594 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5594 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5594 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2605 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2605 0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1414 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1414 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8559 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8559 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5705 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5705 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5705 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5705 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8559 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8559 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1414 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1414 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6627 0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6627 0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7795 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7795 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2910 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2304 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2304 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1756 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1756 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6643 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6643 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7247 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7247 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8720 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8720 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7071 0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7071 0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9586 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9586 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9333 0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9333 0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7297 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7297 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4783 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4783 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5036 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4052 0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4052 0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2007 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2007 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0647 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0647 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5315 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5315 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6029 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6029 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6816 -2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6816 -2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7815 -3.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7815 -3.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1756 -3.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1756 -3.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0768 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0768 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5730 3.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5730 3.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0647 2.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0647 2.4770 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 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
− | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
− | 17 41 1 0 0 0 0 | + | 17 41 1 0 0 0 0 |
− | 1 42 1 0 0 0 0 | + | 1 42 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FA8GL0002 | + | ID FL5FA8GL0002 |
− | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
− | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
− | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
− | SMILES O(C1C)C(OCC(O2)C(C(O)C(C2OC(=C4c(c5)c(ccc5)O)C(c(c(O4)3)c(cc(O)c3)O)=O)O)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(C(O)C(C2OC(=C4c(c5)c(ccc5)O)C(c(c(O4)3)c(cc(O)c3)O)=O)O)O)C(C(O)C(O)1)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 -3.3640 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5705 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5705 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7297 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2007 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6029 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 -2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7815 -3.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -3.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 3.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 2.4770 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 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 17 41 1 0 0 0 0 1 42 1 0 0 0 0 S SKP 5 ID FL5FA8GL0002 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(C1C)C(OCC(O2)C(C(O)C(C2OC(=C4c(c5)c(ccc5)O)C(c(c(O4)3)c(cc(O)c3)O)=O)O)O)C(C(O)C(O)1)O M END