Mol:FL3FFCGSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6633 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6633 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6633 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2123 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2123 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2388 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2388 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2388 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2388 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2123 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2123 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6899 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6899 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1409 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1409 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1409 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1409 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6899 -0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6899 -0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6899 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6899 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5918 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5918 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0515 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0515 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5113 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5113 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5113 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5113 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0515 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0515 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5918 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5918 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2123 -2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2123 -2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1162 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1162 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2123 0.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2123 0.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0804 0.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0804 0.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3970 1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3970 1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4395 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4395 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6851 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6851 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1313 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1313 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1954 0.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1954 0.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9515 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9515 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0526 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0526 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0804 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0804 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8183 -0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8183 -0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0394 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0394 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0394 1.5455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0394 1.5455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5552 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5552 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0394 2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0394 2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3580 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3580 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8601 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8601 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1456 1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1456 1.6978 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 32 35 2 0 0 0 0 | + | 32 35 2 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 39 -6.0086 6.5994 | + | M SBV 1 39 -6.0086 6.5994 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGSS001 | + | ID FL3FFCGSS001 |
| − | KNApSAcK_ID C00004427 | + | KNApSAcK_ID C00004427 |
| − | NAME 8-Hydroxyluteolin 8-glucoside-3'-sulfate | + | NAME 8-Hydroxyluteolin 8-glucoside-3'-sulfate |
| − | CAS_RN 63109-34-2 | + | CAS_RN 63109-34-2 |
| − | FORMULA C21H20O15S | + | FORMULA C21H20O15S |
| − | EXACTMASS 544.0522906599999 | + | EXACTMASS 544.0522906599999 |
| − | AVERAGEMASS 544.4404999999999 | + | AVERAGEMASS 544.4404999999999 |
| − | SMILES c(c1)(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)OS(O)(=O)=O)=C3)c(OC(C(O)2)OC(CO)C(O)C2O)c1O | + | SMILES c(c1)(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)OS(O)(=O)=O)=C3)c(OC(C(O)2)OC(CO)C(O)C2O)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.6633 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2388 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2388 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 -0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5113 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5113 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5918 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 -2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1162 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 0.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0804 0.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6851 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1954 0.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0526 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0804 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8183 -0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 1.5455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5552 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8601 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1456 1.6978 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
32 35 2 0 0 0 0
16 31 1 0 0 0 0
27 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 CH2OH
M SBV 1 39 -6.0086 6.5994
S SKP 8
ID FL3FFCGSS001
KNApSAcK_ID C00004427
NAME 8-Hydroxyluteolin 8-glucoside-3'-sulfate
CAS_RN 63109-34-2
FORMULA C21H20O15S
EXACTMASS 544.0522906599999
AVERAGEMASS 544.4404999999999
SMILES c(c1)(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)OS(O)(=O)=O)=C3)c(OC(C(O)2)OC(CO)C(O)C2O)c1O
M END
