Mol:FL5FECGS0069
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 39 0 0 0 0 0 0 0 0999 V2000 | + | 35 39 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.8110 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8110 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8110 2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8110 2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5255 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5255 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5255 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5255 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3821 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3821 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3821 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3821 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4758 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4758 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4758 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4758 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3324 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3324 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1290 2.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1290 2.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7453 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7453 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9913 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9913 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4459 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4459 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2604 1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2604 1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7453 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7453 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2604 0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2604 0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9943 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9943 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1866 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1866 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1897 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1897 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8878 -1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8878 -1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0799 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0799 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2964 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2964 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8767 -1.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8767 -1.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5946 -2.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5946 -2.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1756 -2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1756 -2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1905 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1905 1.1270 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 6 35 1 0 0 0 0 | + | 6 35 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0069 | + | ID FL5FECGS0069 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES Oc(c1)c(ccc1C(=C4OC(C(O)5)OCC(C(O)5)O)Oc(c(C4=O)2)cc(O3)c(OC3)c2OC)OC | + | SMILES Oc(c1)c(ccc1C(=C4OC(C(O)5)OCC(C(O)5)O)Oc(c(C4=O)2)cc(O3)c(OC3)c2OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 39 0 0 0 0 0 0 0 0999 V2000
1.8110 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8110 2.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3821 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 1.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3324 -0.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1290 2.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7453 2.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 -0.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4459 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7453 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9943 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1897 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8878 -1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0799 -0.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8767 -1.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5946 -2.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1756 -2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1905 1.1270 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
11 17 2 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 15 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
28 32 1 0 0 0 0
27 33 1 0 0 0 0
26 34 1 0 0 0 0
29 20 1 0 0 0 0
6 35 1 0 0 0 0
S SKP 5
ID FL5FECGS0069
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES Oc(c1)c(ccc1C(=C4OC(C(O)5)OCC(C(O)5)O)Oc(c(C4=O)2)cc(O3)c(OC3)c2OC)OC
M END
