Mol:FL5FFAGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9834 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9834 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9834 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9834 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2689 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5544 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5544 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5544 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5544 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2689 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1601 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1601 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8746 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8746 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1601 -0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1601 -0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1601 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1601 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5889 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5889 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3170 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3170 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0453 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0453 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0453 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0453 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3170 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3170 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5889 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5889 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 -0.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 -0.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7081 -1.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7081 -1.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2689 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2689 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7099 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7099 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2717 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2717 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0623 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0623 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7333 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7333 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9237 1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9237 1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2141 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2141 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5904 2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5904 2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3226 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3226 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7099 2.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7099 2.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3710 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3710 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6099 2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6099 2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6678 2.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6678 2.4800 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0007 | + | ID FL5FFAGS0007 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.9834 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9834 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2689 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5544 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5544 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2689 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5889 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 -0.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0453 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0453 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5889 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -0.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 -1.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2689 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7099 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2717 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0623 2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7333 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9237 1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5904 2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3226 1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7099 2.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3710 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6678 2.4800 0.0000 O 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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
27 31 1 0 0 0 0
28 32 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 5
ID FL5FFAGS0007
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1
M END
