Mol:FL7AADGO0002
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 |
| − | -2.4588 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4588 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4588 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4588 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7577 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7577 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0566 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0566 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0566 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0566 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7577 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7577 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3555 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3555 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3456 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3456 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3456 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3456 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3555 0.6562 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3555 0.6562 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0465 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0465 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7610 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7610 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4756 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4756 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4756 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4756 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7610 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7610 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0465 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0465 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1196 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1196 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1597 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1597 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0554 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0554 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7577 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7577 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9375 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9375 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7293 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7293 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4781 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4781 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7293 -1.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7293 -1.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9375 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9375 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1887 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1887 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1597 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1597 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9979 -3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9979 -3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5383 -3.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5383 -3.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0342 -2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0342 -2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7610 2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7610 2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3173 3.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3173 3.7046 0.0000 C 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 17 8 1 0 0 0 0 | + | 17 8 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 0.0000 -0.6800 | + | M SBV 1 35 0.0000 -0.6800 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGS0002 | + | ID FL7AADGS0002 |
| − | FORMULA C22H23O10 | + | FORMULA C22H23O10 |
| − | EXACTMASS 447.129121956 | + | EXACTMASS 447.129121956 |
| − | AVERAGEMASS 447.41202 | + | AVERAGEMASS 447.41202 |
| − | SMILES O(c(c1)c(O)ccc1c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(O2)C(C(C(O)C2C)O)O)C | + | SMILES O(c(c1)c(O)ccc1c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(O2)C(C(C(O)C2C)O)O)C |
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
-2.4588 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7577 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7577 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3555 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3456 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3456 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3555 0.6562 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0465 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4756 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4756 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0465 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1196 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1597 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0554 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7577 -1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9375 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7293 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4781 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7293 -1.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9375 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1887 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 -3.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5383 -3.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0342 -2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3173 3.7046 0.0000 C 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
17 8 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 17 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 0.0000 -0.6800
S SKP 5
ID FL7AADGS0002
FORMULA C22H23O10
EXACTMASS 447.129121956
AVERAGEMASS 447.41202
SMILES O(c(c1)c(O)ccc1c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(O2)C(C(C(O)C2C)O)O)C
M END
