Mol:FL3FEAGS0047
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6990 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6990 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6990 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6990 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0155 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0155 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0155 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0155 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1589 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1589 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1589 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1589 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8733 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8733 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5878 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3023 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3023 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3023 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3023 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5878 1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8733 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8733 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0155 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0155 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0486 1.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0486 1.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4186 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4186 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3860 -1.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3860 -1.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0962 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0962 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2980 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2980 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8854 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8854 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0870 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0870 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2936 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2936 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7061 0.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7061 0.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5045 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5045 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8904 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8904 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0486 0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0486 0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6262 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6262 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7335 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7335 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5185 1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5185 1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6329 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6329 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0479 1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0479 1.9941 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 |
| − | 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 29 33 2 0 0 0 0 | + | 29 33 2 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0047 | + | ID FL3FEAGS0047 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c2)c(OC)c(O)c(C(=O)3)c2OC(c(c4)ccc(c4)O)=C3)1)OC | + | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c2)c(OC)c(O)c(C(=O)3)c2OC(c(c4)ccc(c4)O)=C3)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.6990 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6990 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0155 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0155 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1589 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1589 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3023 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3023 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 1.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0155 -1.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0486 1.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4186 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 -1.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2980 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8854 0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0870 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2936 0.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7061 0.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5045 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8904 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0486 0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6262 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7335 -0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5185 1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6329 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0479 1.9941 0.0000 C 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 2 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 2 0 0 0 0
29 34 1 0 0 0 0
26 20 1 0 0 0 0
34 35 1 0 0 0 0
S SKP 5
ID FL3FEAGS0047
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c2)c(OC)c(O)c(C(=O)3)c2OC(c(c4)ccc(c4)O)=C3)1)OC
M END
