Mol:FL5FGAGS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
− | 0.8942 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8942 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1797 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1797 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1797 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1797 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8942 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8942 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6086 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6086 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5348 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5348 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2492 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2492 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9637 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9637 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9637 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9637 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2492 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2492 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5348 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5348 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6782 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3927 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3927 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3927 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3927 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6782 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2492 -2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2492 -2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1071 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1071 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6782 -2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 -2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1139 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1139 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7359 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7359 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0628 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0628 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7288 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7288 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6782 0.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 0.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2990 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2990 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2509 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2509 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3313 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3313 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3576 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3576 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6008 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6008 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3731 -0.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3731 -0.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8898 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8898 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6467 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6467 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8743 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8743 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7678 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7678 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2446 0.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2446 0.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7288 0.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7288 0.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6069 -0.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6069 -0.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5886 2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5886 2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1355 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1355 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6810 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6810 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8348 0.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8348 0.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2880 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2880 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7425 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7425 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1954 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1954 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2273 2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2273 2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9398 2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9398 2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1355 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1355 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0322 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0322 1.2990 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 |
− | 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 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
− | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
− | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
− | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 29 26 1 0 0 0 0 | + | 29 26 1 0 0 0 0 |
− | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
− | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
− | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
− | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
− | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FGAGS0003 | + | ID FL5FGAGS0003 |
− | KNApSAcK_ID C00013994 | + | KNApSAcK_ID C00013994 |
− | NAME 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside | + | NAME 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C30H36O18 | + | FORMULA C30H36O18 |
− | EXACTMASS 684.190164348 | + | EXACTMASS 684.190164348 |
− | AVERAGEMASS 684.59604 | + | AVERAGEMASS 684.59604 |
− | SMILES C(O)(C5O)C(CO)OC(C5O)OC(C(O)1)C(C(OC1Oc(c4)ccc(c4)C(O3)=C(C(c(c32)c(c(c(c2OC)O)OC)OC)=O)OC)O)O | + | SMILES C(O)(C5O)C(CO)OC(C5O)OC(C(O)1)C(C(OC1Oc(c4)ccc(c4)C(O3)=C(C(c(c32)c(c(c(c2OC)O)OC)OC)=O)OC)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 48 52 0 0 0 0 0 0 0 0999 V2000 0.8942 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -2.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7288 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 0.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 -0.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 0.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 0.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 -0.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5886 2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 0.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 1.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 1.2990 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 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 16 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 19 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 29 26 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 35 41 1 0 0 0 0 S SKP 8 ID FL5FGAGS0003 KNApSAcK_ID C00013994 NAME 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside CAS_RN - FORMULA C30H36O18 EXACTMASS 684.190164348 AVERAGEMASS 684.59604 SMILES C(O)(C5O)C(CO)OC(C5O)OC(C(O)1)C(C(OC1Oc(c4)ccc(c4)C(O3)=C(C(c(c32)c(c(c(c2OC)O)OC)OC)=O)OC)O)O M END