Mol:FL3FEGGS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1989 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1989 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1989 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1989 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6279 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6279 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6279 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6279 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4844 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4844 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2300 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2300 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9445 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9445 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9445 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9445 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2300 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2300 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4844 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4844 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6590 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6590 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3734 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3734 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3734 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3734 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6590 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6590 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2300 -2.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2300 -2.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0879 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0879 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6590 -2.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6590 -2.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1597 1.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1597 1.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2409 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2409 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0393 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0393 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5216 2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5216 2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7724 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7724 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7724 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7724 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0960 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0960 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9835 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9835 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6326 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6326 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4506 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4506 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5633 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5633 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9140 -1.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9140 -1.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6992 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6992 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4874 -2.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4874 -2.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4673 -2.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4673 -2.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5911 -1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5911 -1.8332 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
| − | 31 22 1 0 0 0 0 | + | 31 22 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEGGS0004 | + | ID FL3FEGGS0004 |
| − | FORMULA C24H26O12 | + | FORMULA C24H26O12 |
| − | EXACTMASS 506.142426296 | + | EXACTMASS 506.142426296 |
| − | AVERAGEMASS 506.45604 | + | AVERAGEMASS 506.45604 |
| − | SMILES C(=O)(C=1)c(c(O)4)c(cc(c4OC)O)OC(c(c2)cc(c(OC)c2OC(C(O)3)OC(C(O)C3O)C)OC)1 | + | SMILES C(=O)(C=1)c(c(O)4)c(cc(c4OC)O)OC(c(c2)cc(c(OC)c2OC(C(O)3)OC(C(O)C3O)C)OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
1.1989 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1989 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6279 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6279 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4844 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2300 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9445 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9445 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2300 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4844 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6590 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3734 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3734 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6590 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2300 -2.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0879 0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6590 -2.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 1.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2409 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0393 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7724 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6326 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4506 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5633 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 -1.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6992 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4874 -2.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4673 -2.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5911 -1.8332 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
30 33 1 0 0 0 0
29 34 1 0 0 0 0
28 35 1 0 0 0 0
27 36 1 0 0 0 0
31 22 1 0 0 0 0
S SKP 5
ID FL3FEGGS0004
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES C(=O)(C=1)c(c(O)4)c(cc(c4OC)O)OC(c(c2)cc(c(OC)c2OC(C(O)3)OC(C(O)C3O)C)OC)1
M END
