Mol:FL3FECNSS006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2221 2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2221 2.3146 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.8012 1.4075 | + | M SVB 1 28 1.8012 1.4075 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNSS006 | + | ID FL3FECNSS006 |
| − | KNApSAcK_ID C00004406 | + | KNApSAcK_ID C00004406 |
| − | NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate | + | NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate |
| − | CAS_RN 111509-43-4 | + | CAS_RN 111509-43-4 |
| − | FORMULA C16H12O10S | + | FORMULA C16H12O10S |
| − | EXACTMASS 396.015117294 | + | EXACTMASS 396.015117294 |
| − | AVERAGEMASS 396.32648000000006 | + | AVERAGEMASS 396.32648000000006 |
| − | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O | + | SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.1751 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2730 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2730 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 -0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6292 -0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6292 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1781 0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0801 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5398 -0.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9995 0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9995 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5398 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0801 0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9995 0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 1.0281 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3184 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5157 1.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2221 2.3146 0.0000 C 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
20 22 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.8012 1.4075
S SKP 8
ID FL3FECNSS006
KNApSAcK_ID C00004406
NAME 6-Hydroxyluteolin 3'-methyl ether 7-sulfate
CAS_RN 111509-43-4
FORMULA C16H12O10S
EXACTMASS 396.015117294
AVERAGEMASS 396.32648000000006
SMILES COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O
M END
