Mol:FL5FACGS0093
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | 1.1147 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1147 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8291 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5436 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5436 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8291 2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4002 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0288 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0288 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4002 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7432 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4577 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4577 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7432 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3143 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1722 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1147 0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7432 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1355 2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1355 2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1722 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1722 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6752 -1.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6752 -1.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8794 -2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8794 -2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6701 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6701 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3771 -2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3771 -2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4407 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4407 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7636 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7636 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4285 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4285 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6107 -0.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6107 -0.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2877 -1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2877 -1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3123 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3123 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8252 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8252 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8648 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8648 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2721 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2721 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3684 -1.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3684 -1.6436 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 |
− | 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 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 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
− | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
− | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
− | 36 24 1 0 0 0 0 | + | 36 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGS0093 | + | ID FL5FACGS0093 |
− | KNApSAcK_ID C00013865 | + | KNApSAcK_ID C00013865 |
− | NAME Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
− | CAS_RN 439266-62-3 | + | CAS_RN 439266-62-3 |
− | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
− | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
− | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
− | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(OC(C)=O)C(O)C(C2CO)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(OC(C)=O)C(O)C(C2CO)O)1)cc(c(c1)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/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.1147 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 1.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 1.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6752 -1.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 -2.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 -2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 -0.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 -1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -2.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -1.6436 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 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 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 19 1 0 0 0 0 36 24 1 0 0 0 0 S SKP 8 ID FL5FACGS0093 KNApSAcK_ID C00013865 NAME Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 439266-62-3 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(OC(C)=O)C(O)C(C2CO)O)1)cc(c(c1)O)O M END