Mol:FL3FECGS0009
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 |
| − | -1.2305 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2305 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2305 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2305 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5296 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5296 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1715 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1715 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1715 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1715 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5296 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5296 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8727 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8727 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5736 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5736 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5736 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5736 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8727 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8727 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8727 -2.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8727 -2.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2744 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2744 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9889 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7035 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7035 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7035 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7035 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9889 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2744 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2744 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9903 1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9903 1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3953 0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3953 0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5296 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5296 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9302 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9302 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9302 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9302 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6544 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6544 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6778 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6778 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9878 0.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9878 0.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6778 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6778 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6544 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6544 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3446 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3446 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2569 2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2569 2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6778 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6778 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1184 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1184 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3953 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3953 -0.1416 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0009 | + | ID FL3FECGS0009 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cc(c(O)c4)O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cc(c(O)c4)O)cc(c2O)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
-1.2305 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2305 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5736 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5736 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -2.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2744 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7035 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7035 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2744 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9903 1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3953 0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9302 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9302 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6544 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 0.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6544 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3446 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2569 2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1184 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3953 -0.1416 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0009
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cc(c(O)c4)O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1
M END
