Mol:FL5FACGS0061
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1147 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8291 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5436 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5436 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8291 3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4577 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4577 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3080 -0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3080 -0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1722 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7418 -0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7418 -0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1355 2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1355 2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1722 1.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1722 1.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1415 -2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1415 -2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6617 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6617 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0872 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2900 -0.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2900 -0.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2839 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2839 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3914 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3914 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1759 -3.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1759 -3.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -2.2257 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 |
| − | 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 |
| − | 4 22 1 0 0 0 0 | + | 4 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0061 | + | ID FL5FACGS0061 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
1.1147 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 -0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1355 2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 1.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1415 -2.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6617 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2900 -0.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2839 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3914 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1759 -3.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -2.2257 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 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
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 31 1 0 0 0 0
19 26 1 0 0 0 0
S SKP 5
ID FL5FACGS0061
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
