Mol:FL3FABGS0014
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 |
| − | -0.7076 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7076 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0069 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0069 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0069 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0069 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7076 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7076 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4221 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4221 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4221 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4221 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7214 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7214 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4360 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4360 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4360 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4360 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7214 0.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7214 0.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1677 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1677 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8730 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8730 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5784 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5784 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5784 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5784 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8730 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8730 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1677 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1677 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1624 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1624 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9853 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9853 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7214 -1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7214 -1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7076 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7076 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2454 0.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2454 0.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9745 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9745 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4306 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4306 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5535 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5535 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6711 -1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6711 -1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2149 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2149 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0920 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0920 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6920 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6920 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9853 -0.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9853 -0.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0264 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0264 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6719 -1.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6719 -1.7718 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 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 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 |
| − | 21 26 1 0 0 0 0 | + | 21 26 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 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABGS0014 | + | ID FL3FABGS0014 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES c(c1C(O2)=CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1 | + | SMILES c(c1C(O2)=CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1 |
M END | M END | ||
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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
-0.7076 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0069 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0069 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7076 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4221 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4221 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 0.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1677 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8730 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8730 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1677 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1624 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9853 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 -1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7076 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2454 0.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9745 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4306 -1.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5535 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6711 -1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6920 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9853 -0.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0264 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 -1.7718 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
7 19 2 0 0 0 0
1 20 1 0 0 0 0
5 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
21 26 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 31 1 0 0 0 0
S SKP 5
ID FL3FABGS0014
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES c(c1C(O2)=CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1
M END
