Mol:FLIDHXNF0005
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0914 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0914 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0914 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0914 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5351 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5351 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0212 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0212 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0212 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0212 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5351 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5351 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5775 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5775 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1338 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1338 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1338 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1338 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5775 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5775 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6899 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6899 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6899 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6899 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2847 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2847 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8795 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8795 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8795 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8795 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2847 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2847 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5834 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5834 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4737 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4737 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6407 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6407 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7023 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7023 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0799 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7023 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7023 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7220 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7220 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0431 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0431 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0431 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0431 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4737 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4737 0.5150 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNF0005 | + | ID FLIDHXNF0005 |
| − | KNApSAcK_ID C00009691 | + | KNApSAcK_ID C00009691 |
| − | NAME Glyceofuran | + | NAME Glyceofuran |
| − | CAS_RN 78873-52-6 | + | CAS_RN 78873-52-6 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c23)c(c1cc2OCC(O)(c54)C3Oc4cc(O)cc5)cc(o1)C(C)(C)O | + | SMILES c(c23)c(c1cc2OCC(O)(c54)C3Oc4cc(O)cc5)cc(o1)C(C)(C)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/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.0914 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0914 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5351 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5351 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4737 0.5150 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIDHXNF0005
KNApSAcK_ID C00009691
NAME Glyceofuran
CAS_RN 78873-52-6
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c23)c(c1cc2OCC(O)(c54)C3Oc4cc(O)cc5)cc(o1)C(C)(C)O
M END
