Mol:FL3FACGS0071
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5157 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5157 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5157 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5157 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8012 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8012 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0868 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0868 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0868 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0868 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8012 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8012 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6277 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6277 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3422 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3422 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3422 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3422 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6277 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6277 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0566 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0566 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7711 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7711 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4856 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4856 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4856 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4856 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7711 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7711 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0566 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0566 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6277 -1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6277 -1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2353 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2353 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8012 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8012 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1085 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1085 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1914 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1914 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5760 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5760 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1634 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1634 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3650 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3650 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5716 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5716 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9841 -1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9841 -1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7825 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7825 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1432 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1432 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1914 -1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1914 -1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8180 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8180 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0163 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0163 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8204 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8204 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7826 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7826 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1576 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1576 -0.1340 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 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 |
| − | 28 32 2 0 0 0 0 | + | 28 32 2 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0071 | + | ID FL3FACGS0071 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(c(cc4O)2)C(=O)C=C(c(c3)ccc(c3O)O)O2)1)OC | + | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(c(cc4O)2)C(=O)C=C(c(c3)ccc(c3O)O)O2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.5157 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5157 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0868 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0868 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0566 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4856 0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4856 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0566 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 -1.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2353 0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1085 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1914 0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5760 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1634 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7825 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1432 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1914 -1.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8180 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0163 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8204 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7826 -0.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1576 -0.1340 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 2 0 0 0 0
28 33 1 0 0 0 0
25 19 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 5
ID FL3FACGS0071
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(c(cc4O)2)C(=O)C=C(c(c3)ccc(c3O)O)O2)1)OC
M END
