Mol:FL2F1AGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8307 0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8307 0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1180 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1180 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8275 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8275 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1107 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1107 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3981 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3981 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4018 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4018 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3182 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3182 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0308 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0308 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0272 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0272 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3109 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3109 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6809 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6809 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3969 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3969 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1098 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1098 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1066 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1066 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3905 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3905 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6778 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6778 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3193 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3193 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6709 0.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6709 0.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8139 1.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8139 1.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8001 -1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8001 -1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4457 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4457 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1204 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1204 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2270 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2270 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5813 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5813 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9066 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9066 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4550 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4550 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4187 -1.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4187 -1.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8767 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8767 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2987 -1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2987 -1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7124 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7124 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2344 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2344 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2344 -1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2344 -1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0502 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0502 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2182 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2182 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6824 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6824 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5996 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5996 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0502 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0502 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6404 0.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6404 0.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7124 0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7124 0.5411 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 |
| − | 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 37 31 1 1 0 0 0 | + | 37 31 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 35 37 1 1 0 0 0 | + | 35 37 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 38 35 1 0 0 0 0 | + | 38 35 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 18 35 1 0 0 0 0 | + | 18 35 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2F1AGS0004 | + | ID FL2F1AGS0004 |
| − | FORMULA C26H30O13 | + | FORMULA C26H30O13 |
| − | EXACTMASS 550.168641046 | + | EXACTMASS 550.168641046 |
| − | AVERAGEMASS 550.5086 | + | AVERAGEMASS 550.5086 |
| − | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(C4)Oc(c2)c(C4=O)ccc2OC(C(O)3)OCC(O)3CO)c1)O | + | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(C4)Oc(c2)c(C4=O)ccc2OC(C(O)3)OCC(O)3CO)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/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.8307 0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1180 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8275 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4018 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0308 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0272 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3109 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6809 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3969 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1098 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1066 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6778 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6709 0.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8139 1.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4457 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1204 0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2270 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5813 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9066 -0.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4550 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4187 -1.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8767 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2987 -1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7124 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2344 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2344 -1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2182 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6824 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5996 -0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6404 0.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7124 0.5411 0.0000 O 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 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 19 1 0 0 0 0
37 31 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 1 0 0 0
31 32 1 0 0 0 0
37 33 1 0 0 0 0
38 35 1 0 0 0 0
34 39 1 0 0 0 0
36 38 1 0 0 0 0
31 34 1 0 0 0 0
18 35 1 0 0 0 0
S SKP 5
ID FL2F1AGS0004
FORMULA C26H30O13
EXACTMASS 550.168641046
AVERAGEMASS 550.5086
SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(C4)Oc(c2)c(C4=O)ccc2OC(C(O)3)OCC(O)3CO)c1)O
M END
