Mol:FL1BUNNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5525 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 1 0 0 0 0 | + | 16 8 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1BUNNS0001 | + | ID FL1BUNNS0001 |
| − | KNApSAcK_ID C00008076 | + | KNApSAcK_ID C00008076 |
| − | NAME Crombenin | + | NAME Crombenin |
| − | CAS_RN 37486-29-6 | + | CAS_RN 37486-29-6 |
| − | FORMULA C16H12O8 | + | FORMULA C16H12O8 |
| − | EXACTMASS 332.05321735999996 | + | EXACTMASS 332.05321735999996 |
| − | AVERAGEMASS 332.26168 | + | AVERAGEMASS 332.26168 |
| − | SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2 | + | SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)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/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
7 10 2 0 0 0 0
11 4 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 8 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 14 1 0 0 0 0
12 21 1 0 0 0 0
18 22 1 0 0 0 0
19 23 1 0 0 0 0
6 24 1 0 0 0 0
S SKP 8
ID FL1BUNNS0001
KNApSAcK_ID C00008076
NAME Crombenin
CAS_RN 37486-29-6
FORMULA C16H12O8
EXACTMASS 332.05321735999996
AVERAGEMASS 332.26168
SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2
M END
