Mol:FL3FECGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.2512 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2512 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2512 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2512 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4497 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4497 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1508 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1508 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4497 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4497 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8520 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8520 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5529 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5529 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5529 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5529 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8520 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8520 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8520 -1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8520 -1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2538 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2538 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9683 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9683 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6829 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6829 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6829 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6829 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9683 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9683 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2538 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2538 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9683 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9683 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6002 1.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6002 1.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4497 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4497 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 -1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 -1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8706 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8706 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0690 -2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0690 -2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9150 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9150 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8015 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8015 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6107 -1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6107 -1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7896 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7896 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6002 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6002 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8840 -2.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8840 -2.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1699 -2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1699 -2.4868 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 |
| − | 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0003 | + | ID FL3FECGS0003 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)cc(c(O)c2)O | + | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)cc(c(O)c2)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
-0.2512 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2512 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8520 -1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5529 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5529 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8520 0.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8520 -1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2538 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9683 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6829 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6829 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9683 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2538 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9683 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6002 1.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 -1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8706 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0690 -2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9150 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8015 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 -1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7896 -1.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6002 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8840 -2.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1699 -2.4868 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
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
25 31 1 0 0 0 0
26 22 1 0 0 0 0
S SKP 5
ID FL3FECGS0003
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)cc(c(O)c2)O
M END
