Mol:FL1DAAGS0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8092 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8092 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8092 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8092 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0971 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0971 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3851 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3851 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3851 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3851 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0971 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0971 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2744 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2744 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0390 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0390 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0390 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0390 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3270 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3270 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7507 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7507 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4825 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4825 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2144 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2144 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2144 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2144 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4825 3.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4825 3.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7507 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7507 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5207 1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5207 1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9445 3.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9445 3.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0971 -0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0971 -0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2744 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2744 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9863 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9863 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5274 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5274 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4866 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4866 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4396 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4396 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8983 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8983 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9391 -1.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9391 -1.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9445 -2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9445 -2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6674 -1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6674 -1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0700 -2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0700 -2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4368 -3.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4368 -3.1403 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 |
| − | 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 |
| − | 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 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 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1DAAGS0001 | + | ID FL1DAAGS0001 |
| − | FORMULA C21H24O9 | + | FORMULA C21H24O9 |
| − | EXACTMASS 420.14203236599997 | + | EXACTMASS 420.14203236599997 |
| − | AVERAGEMASS 420.40986 | + | AVERAGEMASS 420.40986 |
| − | SMILES Oc(c3)ccc(c3)CCC(=O)c(c1OC(O2)C(O)C(O)C(O)C(C)2)c(cc(O)c1)O | + | SMILES Oc(c3)ccc(c3)CCC(=O)c(c1OC(O2)C(O)C(O)C(O)C(C)2)c(cc(O)c1)O |
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 32 0 0 0 0 0 0 0 0999 V2000
-1.8092 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8092 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2144 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2144 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 3.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5207 1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9445 3.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 -0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9863 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4866 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8983 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9391 -1.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9445 -2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6674 -1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0700 -2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4368 -3.1403 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
7 20 2 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
25 19 1 0 0 0 0
22 27 1 0 0 0 0
21 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 5
ID FL1DAAGS0001
FORMULA C21H24O9
EXACTMASS 420.14203236599997
AVERAGEMASS 420.40986
SMILES Oc(c3)ccc(c3)CCC(=O)c(c1OC(O2)C(O)C(O)C(O)C(C)2)c(cc(O)c1)O
M END
