Mol:FL5FCCNSS001
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 |
| − | -2.0592 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0592 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0592 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0592 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9466 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9466 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9466 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9466 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1660 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1660 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1660 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1660 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3903 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3903 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7221 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7221 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2891 -0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2891 -0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8561 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8561 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8561 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8561 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2891 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2891 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7221 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7221 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5029 -1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5029 -1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4164 1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4164 1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2891 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2891 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5801 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5801 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5769 -2.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5769 -2.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0566 -1.7190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0566 -1.7190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3373 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3373 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7447 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7447 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4164 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4164 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9164 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9164 1.2977 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 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 -2.4164 0.4317 | + | M SVB 1 28 -2.4164 0.4317 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCCNSS001 | + | ID FL5FCCNSS001 |
| − | KNApSAcK_ID C00004966 | + | KNApSAcK_ID C00004966 |
| − | NAME Rhamnetin 3-O-sulfate | + | NAME Rhamnetin 3-O-sulfate |
| − | CAS_RN 60889-08-9 | + | CAS_RN 60889-08-9 |
| − | FORMULA C16H12O10S | + | FORMULA C16H12O10S |
| − | EXACTMASS 396.015117294 | + | EXACTMASS 396.015117294 |
| − | AVERAGEMASS 396.32648000000006 | + | AVERAGEMASS 396.32648000000006 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 |
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
-2.0592 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0592 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1660 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3903 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 -0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4164 1.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5801 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5769 -2.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0566 -1.7190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3373 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7447 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9164 1.2977 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
15 19 1 0 0 0 0
16 20 1 0 0 0 0
23 24 2 0 0 0 0
23 25 2 0 0 0 0
22 23 1 0 0 0 0
21 23 1 0 0 0 0
8 21 1 0 0 0 0
1 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 -2.4164 0.4317
S SKP 8
ID FL5FCCNSS001
KNApSAcK_ID C00004966
NAME Rhamnetin 3-O-sulfate
CAS_RN 60889-08-9
FORMULA C16H12O10S
EXACTMASS 396.015117294
AVERAGEMASS 396.32648000000006
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2
M END
