Mol:FL7AAAGO0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4080 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4080 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4080 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4080 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7069 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7069 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0058 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0058 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0058 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0058 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7069 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7069 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3047 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3047 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6035 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6035 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6035 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6035 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3047 0.5954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.3047 0.5954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0973 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0973 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8119 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8119 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5264 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5264 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5264 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5264 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8119 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8119 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0973 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0973 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2407 1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2407 1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1089 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1089 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7069 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7069 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1477 -1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1477 -1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4653 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4653 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9768 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9768 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9162 -1.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9162 -1.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8615 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8615 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3501 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3501 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4105 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4105 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7449 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7449 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0874 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0874 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1089 -0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1089 -0.7418 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 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGS0002 | + | ID FL7AAAGS0002 |
| − | FORMULA C20H19O9 | + | FORMULA C20H19O9 |
| − | EXACTMASS 403.10290720600005 | + | EXACTMASS 403.10290720600005 |
| − | AVERAGEMASS 403.35946 | + | AVERAGEMASS 403.35946 |
| − | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 | + | SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-3.4080 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4080 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7069 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0058 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0058 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7069 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3047 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6035 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6035 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3047 0.5954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0973 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8119 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5264 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5264 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8119 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0973 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2407 1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1089 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7069 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1477 -1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4653 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9768 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9162 -1.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8615 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3501 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4105 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0874 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1089 -0.7418 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 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGS0002
FORMULA C20H19O9
EXACTMASS 403.10290720600005
AVERAGEMASS 403.35946
SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1
M END
