Mol:FL5FCFGSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7862 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9284 1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9284 1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9284 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9284 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -2.1118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -2.1118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -2.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -2.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6630 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6630 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5871 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5871 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.7871 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 2 0 0 0 0 | + | 25 27 2 0 0 0 0 |
| − | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCFGSS001 | + | ID FL5FCFGSS001 |
| − | KNApSAcK_ID C00013938 | + | KNApSAcK_ID C00013938 |
| − | NAME Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one | + | NAME Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one |
| − | CAS_RN 221662-11-9 | + | CAS_RN 221662-11-9 |
| − | FORMULA C18H16O10S | + | FORMULA C18H16O10S |
| − | EXACTMASS 424.046417422 | + | EXACTMASS 424.046417422 |
| − | AVERAGEMASS 424.37964 | + | AVERAGEMASS 424.37964 |
| − | SMILES c(c12)(O)cc(OC)cc(OC(c(c3)cc(OC)c(OC)c3)=C(OS(O)(=O)=O)C2=O)1 | + | SMILES c(c12)(O)cc(OC)cc(OC(c(c3)cc(OC)c(OC)c3)=C(OS(O)(=O)=O)C2=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
1.7862 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9284 1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9284 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -2.1118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -2.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -2.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.7871 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
21 23 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
25 28 2 0 0 0 0
25 19 1 0 0 0 0
22 29 1 0 0 0 0
S SKP 8
ID FL5FCFGSS001
KNApSAcK_ID C00013938
NAME Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one
CAS_RN 221662-11-9
FORMULA C18H16O10S
EXACTMASS 424.046417422
AVERAGEMASS 424.37964
SMILES c(c12)(O)cc(OC)cc(OC(c(c3)cc(OC)c(OC)c3)=C(OS(O)(=O)=O)C2=O)1
M END
