Mol:FL5FCANSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0708 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0708 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0708 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0708 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5145 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5145 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5145 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5145 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4019 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4019 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1544 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1544 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1544 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1544 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4019 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4019 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4019 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4019 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7105 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7105 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2775 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2775 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8445 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8445 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8445 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8445 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2775 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2775 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7105 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7105 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4258 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5145 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5145 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4113 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4113 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9132 -1.3892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9132 -1.3892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1940 -0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1940 -0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6013 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6013 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3868 -1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3868 -1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4113 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4113 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8766 1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8766 1.6841 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 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 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.4113 0.799 | + | M SVB 1 27 -2.4113 0.799 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCANSS001 | + | ID FL5FCANSS001 |
| − | KNApSAcK_ID C00004949 | + | KNApSAcK_ID C00004949 |
| − | NAME Rhamnocitrin 3-O-sulfate | + | NAME Rhamnocitrin 3-O-sulfate |
| − | CAS_RN 60889-06-7 | + | CAS_RN 60889-06-7 |
| − | FORMULA C16H12O9S | + | FORMULA C16H12O9S |
| − | EXACTMASS 380.020202672 | + | EXACTMASS 380.020202672 |
| − | AVERAGEMASS 380.32708 | + | AVERAGEMASS 380.32708 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)ccc(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)ccc(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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0708 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1544 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1544 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7105 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7105 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4113 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 -1.3892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.1940 -0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3868 -1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4113 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 1.6841 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
18 21 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.4113 0.799
S SKP 8
ID FL5FCANSS001
KNApSAcK_ID C00004949
NAME Rhamnocitrin 3-O-sulfate
CAS_RN 60889-06-7
FORMULA C16H12O9S
EXACTMASS 380.020202672
AVERAGEMASS 380.32708
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)ccc(O)c2
M END
