Mol:FL2FAAGS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0959 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0959 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3833 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3833 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0927 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0927 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3760 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3760 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6632 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6632 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6669 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6669 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9469 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9469 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2343 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2343 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2380 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2380 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9543 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9543 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4158 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4158 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1319 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1319 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8447 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8447 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8416 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8416 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1255 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1255 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4126 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4126 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9459 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9459 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7214 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7214 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3760 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3760 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4603 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4603 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8476 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8476 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9741 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9741 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2035 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2035 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0771 1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0771 1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6009 0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6009 0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7214 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7214 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4644 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4644 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4298 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4298 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3619 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3619 -0.3563 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 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 |
| − | 24 23 1 1 0 0 0 | + | 24 23 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 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0022 | + | ID FL2FAAGS0022 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.0959 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3833 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0927 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3760 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6669 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9469 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2343 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2380 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9543 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4158 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1319 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8447 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8416 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1255 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4126 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7214 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3760 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4603 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9741 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2035 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0771 1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7214 -0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 -0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3619 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 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
24 27 1 0 0 0 0
23 28 1 0 0 0 0
22 29 1 0 0 0 0
21 30 1 0 0 0 0
25 20 1 0 0 0 0
S SKP 5
ID FL2FAAGS0022
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)(O1)C(O)C(O)C(O)C(C)1
M END
