Mol:FL4DABGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5497 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5497 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8353 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8353 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8353 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8353 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5497 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5497 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2642 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2642 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2642 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2642 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1208 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1208 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4063 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4063 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4063 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4063 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1208 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1208 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3451 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3451 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7875 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7875 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7875 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7875 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3451 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3451 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4127 2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4127 2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2272 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2272 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9994 1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9994 1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5497 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5497 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1208 -0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1208 -0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5686 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5686 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7560 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7560 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7483 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7483 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5292 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5292 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3419 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3419 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3496 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3496 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1601 -0.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1601 -0.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8163 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8163 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2027 -0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2027 -0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9994 -1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9994 -1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3235 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3235 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9130 -1.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9130 -1.6028 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 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 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 |
| − | 8 28 1 0 0 0 0 | + | 8 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DABGS0002 | + | ID FL4DABGS0002 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES O(C)c(c4)ccc(c4)C(O2)C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O | + | SMILES O(C)c(c4)ccc(c4)C(O2)C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.5497 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8353 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8353 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5497 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2642 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2642 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3451 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7875 1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7875 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3451 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4127 2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2272 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 1.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5497 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 -0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5686 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7483 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5292 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3496 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -0.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8163 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2027 -0.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9994 -1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3235 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9130 -1.6028 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 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
5 19 1 0 0 0 0
1 20 1 0 0 0 0
7 21 2 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
8 28 1 0 0 0 0
28 23 1 0 0 0 0
22 29 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
S SKP 5
ID FL4DABGS0002
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O(C)c(c4)ccc(c4)C(O2)C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O
M END
