Mol:FL2FAAGS0005
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 |
| − | -2.2642 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2642 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2642 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2642 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5496 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5496 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8352 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8352 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8352 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8352 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5496 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5496 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1206 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1206 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5939 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5939 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1206 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1206 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3082 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3082 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0365 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0365 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7645 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7645 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7645 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7645 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0365 2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0365 2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3082 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3082 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1206 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1206 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9786 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9786 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4928 2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4928 2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5496 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5496 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7259 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7259 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0545 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0545 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4226 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4226 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7868 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7868 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4581 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4581 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0901 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0901 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7776 -2.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7776 -2.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4928 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4928 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3472 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3472 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8099 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8099 -2.8042 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0005 | + | ID FL2FAAGS0005 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES C(=O)(C3)c(c2OC3c(c4)ccc(O)c4)c(cc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(=O)(C3)c(c2OC3c(c4)ccc(O)c4)c(cc(O)c2)OC(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
-2.2642 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2642 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1206 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1206 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0365 1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0365 2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1206 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9786 1.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4928 2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 -0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7259 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4226 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0901 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7776 -2.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4928 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3472 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -2.8042 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 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
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
24 30 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 5
ID FL2FAAGS0005
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES C(=O)(C3)c(c2OC3c(c4)ccc(O)c4)c(cc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1
M END
