Mol:FL5FFAGS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6479 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6479 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6479 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6479 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9334 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9334 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2189 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2189 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2189 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2189 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9334 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9334 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4956 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4956 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4956 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4956 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4956 -2.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4956 -2.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9244 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9244 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6527 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6527 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3809 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3809 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3809 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3809 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6527 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6527 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9244 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9244 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9334 -2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9334 -2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1542 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1542 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2836 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2836 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9985 -2.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9985 -2.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9334 0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9334 0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4843 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4843 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9098 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9098 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5725 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5725 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3962 1.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3962 1.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9709 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9709 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5004 2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5004 2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8872 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8872 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9331 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9331 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7600 2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7600 2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1003 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1003 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1542 1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1542 1.6820 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0022 | + | ID FL5FFAGS0022 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O | + | SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6479 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6479 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9334 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9334 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4956 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4956 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4956 -2.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9244 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3809 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3809 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9244 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9334 -2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1542 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2836 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9985 -2.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9334 0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4843 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5725 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3962 1.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9709 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8872 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9331 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1003 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1542 1.6820 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
22 26 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 5
ID FL5FFAGS0022
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O
M END
