Mol:FL3FF9NS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 2.4750 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9NS0008 | + | ID FL3FF9NS0008 |
| − | KNApSAcK_ID C00013322 | + | KNApSAcK_ID C00013322 |
| − | NAME 5,7-Dihydroxy-8,3',5'trimethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one | + | NAME 5,7-Dihydroxy-8,3',5'trimethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 618889-78-4 | + | CAS_RN 618889-78-4 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)cc(OC)cc(OC)3)=C2)1)O | + | SMILES c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)cc(OC)cc(OC)3)=C2)1)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.4750 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
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
6 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 1 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL3FF9NS0008
KNApSAcK_ID C00013322
NAME 5,7-Dihydroxy-8,3',5'trimethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one
CAS_RN 618889-78-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)cc(OC)cc(OC)3)=C2)1)O
M END
