Mol:FL5FACGS0091
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 |
− | 1.4049 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4049 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4049 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4049 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1194 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8339 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8339 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8339 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8339 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1194 4.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 4.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6905 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6905 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0240 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0240 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7385 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7385 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7385 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7385 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0240 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0240 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6905 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6905 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4530 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4530 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1674 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1674 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1674 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1674 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4530 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4530 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0240 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0240 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8819 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8819 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4049 1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4049 1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4530 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4530 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4258 4.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4258 4.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4624 3.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4624 3.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3582 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3582 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1750 -0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1750 -0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2773 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2773 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7826 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7826 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9657 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9657 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8634 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8634 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2176 0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2176 0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0937 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0937 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6384 -1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6384 -1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9284 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9284 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4006 -0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4006 -0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2160 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2160 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7255 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7255 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5219 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5219 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0124 -1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0124 -1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3184 -2.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3184 -2.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1349 -2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1349 -2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4413 -3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4413 -3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9311 -3.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9311 -3.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1145 -3.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1145 -3.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8081 -3.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8081 -3.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2370 -4.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2370 -4.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1928 -3.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1928 -3.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4624 -4.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4624 -4.2556 0.0000 C 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 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 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 |
− | 34 36 1 0 0 0 0 | + | 34 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 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
− | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
− | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
− | 40 45 1 0 0 0 0 | + | 40 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
− | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGS0091 | + | ID FL5FACGS0091 |
− | KNApSAcK_ID C00013863 | + | KNApSAcK_ID C00013863 |
− | NAME Quercetin 3-(6''-feruloylgalactoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Quercetin 3-(6''-feruloylgalactoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one |
− | CAS_RN 287384-26-3 | + | CAS_RN 287384-26-3 |
− | FORMULA C31H28O15 | + | FORMULA C31H28O15 |
− | EXACTMASS 640.1428202259999 | + | EXACTMASS 640.1428202259999 |
− | AVERAGEMASS 640.54502 | + | AVERAGEMASS 640.54502 |
− | SMILES O(C(COC(=O)C=Cc(c5)cc(c(O)c5)OC)4)C(C(C(C4O)O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O | + | SMILES O(C(COC(=O)C=Cc(c5)cc(c(O)c5)OC)4)C(C(C(C4O)O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O |
M END | M END | ||
− |
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 1.4049 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8339 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8339 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 4.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 3.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 4.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 3.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2176 0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 -1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4006 -0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 -1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 -2.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 -2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 -3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -3.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 -3.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -3.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -4.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 -3.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 -4.2556 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 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 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 40 45 1 0 0 0 0 45 46 1 0 0 0 0 33 29 1 0 0 0 0 26 19 1 0 0 0 0 S SKP 8 ID FL5FACGS0091 KNApSAcK_ID C00013863 NAME Quercetin 3-(6''-feruloylgalactoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 287384-26-3 FORMULA C31H28O15 EXACTMASS 640.1428202259999 AVERAGEMASS 640.54502 SMILES O(C(COC(=O)C=Cc(c5)cc(c(O)c5)OC)4)C(C(C(C4O)O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O M END