Mol:FL5FADGSN001
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 |
| − | 2.6696 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6696 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9551 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9551 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9551 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9551 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6696 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6696 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3841 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3841 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3841 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3841 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2408 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2408 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5263 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5263 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1882 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1882 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1882 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1882 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5263 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5263 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2408 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2408 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9026 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9026 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6171 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6171 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6171 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6171 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9026 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9026 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5263 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5263 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3315 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3315 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9551 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9551 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9026 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9026 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0986 1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0986 1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1622 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1622 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7495 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7495 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9512 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9512 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1577 1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1577 1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5703 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5703 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3687 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3687 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8034 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8034 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4868 2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4868 2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8222 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8222 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4365 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4365 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7976 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7976 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0872 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0872 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8222 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8222 0.2254 0.0000 C 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGSN001 | + | ID FL5FADGSN001 |
| − | FORMULA C22H23NO11 | + | FORMULA C22H23NO11 |
| − | EXACTMASS 477.127110583 | + | EXACTMASS 477.127110583 |
| − | AVERAGEMASS 477.41816 | + | AVERAGEMASS 477.41816 |
| − | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3N)OC(CO)C(O)C3O)O)C | + | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3N)OC(CO)C(O)C3O)O)C |
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
2.6696 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6696 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3841 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3841 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2408 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5263 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1882 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1882 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5263 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2408 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5263 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 -2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0986 1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1622 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7495 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9512 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 1.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5703 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3687 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4868 2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8222 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4365 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7976 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0872 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8222 0.2254 0.0000 C 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
6 33 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 5
ID FL5FADGSN001
FORMULA C22H23NO11
EXACTMASS 477.127110583
AVERAGEMASS 477.41816
SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3N)OC(CO)C(O)C3O)O)C
M END
