Mol:FL2F3CGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.3966 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3966 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3966 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3966 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6820 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6820 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0325 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0325 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0325 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0325 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6820 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6820 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7470 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7470 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4616 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4616 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4616 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4616 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7470 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7470 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1759 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1759 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9041 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9041 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6324 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6324 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6324 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6324 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9041 1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9041 1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1759 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1759 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7470 -2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7470 -2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3604 1.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3604 1.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1108 0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1108 0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9180 2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9180 2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6820 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6820 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8332 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8332 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1586 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1586 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3727 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3727 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1586 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1586 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8332 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8332 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6192 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6192 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4029 2.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4029 2.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1586 1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1586 1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2259 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2259 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3604 0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3604 0.1367 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 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2F3CGS0002 | + | ID FL2F3CGS0002 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES c(c1)c(C(C2)Oc(c3O)c(ccc3OC(O4)C(O)C(O)C(O)C(C)4)C(=O)2)cc(c(O)1)O | + | SMILES c(c1)c(C(C2)Oc(c3O)c(ccc3OC(O4)C(O)C(O)C(O)C(C)4)C(=O)2)cc(c(O)1)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
-1.3966 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0325 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0325 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 -0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1759 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6324 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6324 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1759 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 -2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3604 1.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1108 0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 2.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8332 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1586 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1586 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8332 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6192 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4029 2.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1586 1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2259 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3604 0.1367 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 1 0 0 0 0
9 10 1 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 1 0 0 0 0
6 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 19 1 0 0 0 0
S SKP 5
ID FL2F3CGS0002
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES c(c1)c(C(C2)Oc(c3O)c(ccc3OC(O4)C(O)C(O)C(O)C(C)4)C(=O)2)cc(c(O)1)O
M END
