Mol:FL3FFAGS0014
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.0052 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0052 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7196 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7196 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7196 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7196 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.8630 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8630 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5775 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5775 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2920 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2920 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2920 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2920 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5775 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5775 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8630 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8630 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 5.0383 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0383 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.0052 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0052 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2789 2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2789 2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.7068 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7068 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2629 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2629 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0983 0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0983 0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8348 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8348 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5642 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5642 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7400 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7400 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9609 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9609 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6078 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6078 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2593 0.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2593 0.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3562 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3562 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5207 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5207 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7842 1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7842 1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3402 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3402 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1756 1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1756 1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9121 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9121 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6415 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6415 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8174 2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8174 2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0383 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0383 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6851 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6851 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3367 0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3367 0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
− | 9 11 1 0 0 0 0 | + | 9 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 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
− | 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 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
− | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FFAGS0014 | + | ID FL3FFAGS0014 |
− | KNApSAcK_ID C00013642 | + | KNApSAcK_ID C00013642 |
− | NAME 8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 68116-43-8 | + | CAS_RN 68116-43-8 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES O(C(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)c(c1O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3)c(O)c1 | + | SMILES O(C(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)c(c1O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3)c(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/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.7093 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7093 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -0.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 2.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9609 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 0.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3562 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 1.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 2.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3367 0.7796 0.0000 O 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 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 9 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 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 32 1 0 0 0 0 25 21 1 0 0 0 0 S SKP 8 ID FL3FFAGS0014 KNApSAcK_ID C00013642 NAME 8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 68116-43-8 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES O(C(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)c(c1O)c(O2)c(C(=O)C=C2c(c3)ccc(O)c3)c(O)c1 M END