Mol:FL3FAGNSS001
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 |
| − | -1.5907 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5907 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5907 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5907 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1396 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1396 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6886 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6886 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6886 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6886 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1396 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1396 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2375 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2375 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2136 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2136 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2136 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2136 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2375 -0.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2375 -0.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2375 -2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2375 -2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6645 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6645 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1242 -0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1242 -0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5839 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5839 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5839 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5839 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1242 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1242 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6645 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6645 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1396 -2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1396 -2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0435 -0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0435 -0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0435 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0435 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1327 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1327 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1327 1.6177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1327 1.6177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6485 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6485 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1327 2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1327 2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4512 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4512 1.6177 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
| − | 22 16 1 0 0 0 0 | + | 22 16 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAGNSS001 | + | ID FL3FAGNSS001 |
| − | KNApSAcK_ID C00004455 | + | KNApSAcK_ID C00004455 |
| − | NAME Tricetin 3'-sulfate | + | NAME Tricetin 3'-sulfate |
| − | CAS_RN 59176-59-9 | + | CAS_RN 59176-59-9 |
| − | FORMULA C15H10O10S | + | FORMULA C15H10O10S |
| − | EXACTMASS 381.99946723 | + | EXACTMASS 381.99946723 |
| − | AVERAGEMASS 382.2999 | + | AVERAGEMASS 382.2999 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OS(O)(=O)=O)c(O)c(O)2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OS(O)(=O)=O)c(O)c(O)2 |
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
-1.5907 -0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6886 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6886 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2375 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2136 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2136 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2375 -0.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2375 -2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5839 -0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5839 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6645 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 -2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0435 -0.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1327 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1327 1.6177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6485 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1327 2.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4512 1.6177 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
15 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
23 26 2 0 0 0 0
22 16 1 0 0 0 0
S SKP 8
ID FL3FAGNSS001
KNApSAcK_ID C00004455
NAME Tricetin 3'-sulfate
CAS_RN 59176-59-9
FORMULA C15H10O10S
EXACTMASS 381.99946723
AVERAGEMASS 382.2999
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OS(O)(=O)=O)c(O)c(O)2
M END
