Mol:FL5FAAGSS002
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 |
| − | 2.7081 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7081 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7081 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7081 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4226 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4226 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1371 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1371 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1371 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1371 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4226 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4226 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9937 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9937 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2792 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2792 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5647 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5647 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5647 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5647 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2792 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2792 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9937 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9937 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8642 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8642 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2792 -1.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2792 -1.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5787 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5787 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6713 -0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6713 -0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7378 2.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7378 2.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1497 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1497 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7229 1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7229 1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1355 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1355 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3420 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3420 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5437 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5437 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1310 1.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1310 1.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9246 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9246 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6596 2.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6596 2.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7378 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7378 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7869 0.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7869 0.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6713 -1.4877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6713 -1.4877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6713 -2.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6713 -2.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3809 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3809 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1763 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1763 -1.4877 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 19 31 1 0 0 0 0 | + | 19 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
| − | 31 34 2 0 0 0 0 | + | 31 34 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGSS002 | + | ID FL5FAAGSS002 |
| − | FORMULA C20H18O13S | + | FORMULA C20H18O13S |
| − | EXACTMASS 498.04681135199996 | + | EXACTMASS 498.04681135199996 |
| − | AVERAGEMASS 498.41512 | + | AVERAGEMASS 498.41512 |
| − | SMILES C(O1)(c(c4)ccc(O)c4)=C(OS(O)(=O)=O)C(c(c2O)c1cc(OC(O3)C(O)C(C(O)C3)O)c2)=O | + | SMILES C(O1)(c(c4)ccc(O)c4)=C(OS(O)(=O)=O)C(c(c2O)c1cc(OC(O3)C(O)C(C(O)C3)O)c2)=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
2.7081 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7081 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1371 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1371 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9937 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2792 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2792 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9937 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2792 -1.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5787 0.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7378 2.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1497 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7229 1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1355 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3420 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5437 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1310 1.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6596 2.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7378 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7869 0.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -1.4877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -2.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3809 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1763 -1.4877 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
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
19 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
31 34 2 0 0 0 0
S SKP 5
ID FL5FAAGSS002
FORMULA C20H18O13S
EXACTMASS 498.04681135199996
AVERAGEMASS 498.41512
SMILES C(O1)(c(c4)ccc(O)c4)=C(OS(O)(=O)=O)C(c(c2O)c1cc(OC(O3)C(O)C(C(O)C3)O)c2)=O
M END
