Mol:FL3FACNSS002
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 |
| − | -1.6247 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6247 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6247 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6247 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7226 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7226 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7226 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7226 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2715 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2715 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1795 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1795 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1795 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1795 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2715 -0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2715 -0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2715 -1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2715 -1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6304 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6304 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0902 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0902 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5499 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5499 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5499 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5499 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0902 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0902 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6304 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6304 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1442 -0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1442 -0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 -1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 -1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1442 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1442 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0902 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0902 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0902 1.5117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0902 1.5117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5917 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5917 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5667 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5667 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0902 1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0902 1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNSS002 | + | ID FL3FACNSS002 |
| − | KNApSAcK_ID C00004329 | + | KNApSAcK_ID C00004329 |
| − | NAME Luteolin 3'-sulfate | + | NAME Luteolin 3'-sulfate |
| − | CAS_RN 59176-61-3 | + | CAS_RN 59176-61-3 |
| − | FORMULA C15H10O9S | + | FORMULA C15H10O9S |
| − | EXACTMASS 366.00455260800004 | + | EXACTMASS 366.00455260800004 |
| − | AVERAGEMASS 366.30050000000006 | + | AVERAGEMASS 366.30050000000006 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(c(O)c2)OS(O)(=O)=O | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(c(O)c2)OS(O)(=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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6247 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7226 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7226 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 -0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6304 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5499 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5499 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6304 0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 -0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1442 0.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 1.5117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.5917 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 1.9861 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL3FACNSS002
KNApSAcK_ID C00004329
NAME Luteolin 3'-sulfate
CAS_RN 59176-61-3
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(c(O)c2)OS(O)(=O)=O
M END
