Mol:FL5FACGA0030
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 |
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− | -4.5621 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5621 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
− | 35 37 2 0 0 0 0 | + | 35 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 35 1 0 0 0 0 | + | 41 35 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGA0030 | + | ID FL5FACGA0030 |
− | KNApSAcK_ID C00005949 | + | KNApSAcK_ID C00005949 |
− | NAME Quercetin 3-(6''-p-hydroxybenzoylgalactoside) | + | NAME Quercetin 3-(6''-p-hydroxybenzoylgalactoside) |
− | CAS_RN 72672-58-3 | + | CAS_RN 72672-58-3 |
− | FORMULA C28H24O14 | + | FORMULA C28H24O14 |
− | EXACTMASS 584.116605476 | + | EXACTMASS 584.116605476 |
− | AVERAGEMASS 584.48176 | + | AVERAGEMASS 584.48176 |
− | SMILES c(c1)(O)cc(c(C(=O)3)c1OC(=C(OC(C(O)4)OC(COC(=O)c(c5)ccc(O)c5)C(O)C4O)3)c(c2)ccc(c2O)O)O | + | SMILES c(c1)(O)cc(c(C(=O)3)c1OC(=C(OC(C(O)4)OC(COC(=O)c(c5)ccc(O)c5)C(O)C4O)3)c(c2)ccc(c2O)O)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 -3.9512 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 -0.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -0.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -0.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7595 0.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 2.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 -0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -1.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 3.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -2.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -2.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 -3.0775 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 19 20 1 0 0 0 0 20 21 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 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 35 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 35 1 0 0 0 0 39 42 1 0 0 0 0 S SKP 8 ID FL5FACGA0030 KNApSAcK_ID C00005949 NAME Quercetin 3-(6''-p-hydroxybenzoylgalactoside) CAS_RN 72672-58-3 FORMULA C28H24O14 EXACTMASS 584.116605476 AVERAGEMASS 584.48176 SMILES c(c1)(O)cc(c(C(=O)3)c1OC(=C(OC(C(O)4)OC(COC(=O)c(c5)ccc(O)c5)C(O)C4O)3)c(c2)ccc(c2O)O)O M END