Mol:FL5FA9GSS001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
− | 1.4289 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 -0.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8579 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3208 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3208 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0144 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0144 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8371 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8371 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1145 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1145 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7492 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7492 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9265 -0.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9265 -0.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6490 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6490 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.4224 -1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4224 -1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.4289 2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 |
− | 21 29 1 0 0 0 0 | + | 21 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 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
− | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FA9GSS001 | + | ID FL5FA9GSS001 |
− | KNApSAcK_ID C00013731 | + | KNApSAcK_ID C00013731 |
− | NAME 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid | + | NAME 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid |
− | CAS_RN 776278-57-0 | + | CAS_RN 776278-57-0 |
− | FORMULA C21H20O13S | + | FORMULA C21H20O13S |
− | EXACTMASS 512.062461416 | + | EXACTMASS 512.062461416 |
− | AVERAGEMASS 512.4417 | + | AVERAGEMASS 512.4417 |
− | SMILES C(C(OC(=C(c(c4)cccc4)3)C(c(c(O)2)c(O3)c(c(O)c2)S(O)(=O)=O)=O)1)(O)C(O)C(O)C(O1)CO | + | SMILES C(C(OC(=C(c(c4)cccc4)3)C(c(c(O)2)c(O3)c(c(O)c2)S(O)(=O)=O)=O)1)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 1.4289 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -0.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 -1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 -2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -2.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.2299 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 2.2299 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 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 20 24 1 0 0 0 0 13 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 S SKP 8 ID FL5FA9GSS001 KNApSAcK_ID C00013731 NAME 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid CAS_RN 776278-57-0 FORMULA C21H20O13S EXACTMASS 512.062461416 AVERAGEMASS 512.4417 SMILES C(C(OC(=C(c(c4)cccc4)3)C(c(c(O)2)c(O3)c(c(O)c2)S(O)(=O)=O)=O)1)(O)C(O)C(O)C(O1)CO M END