Mol:FL5FAGGS0028
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7861 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 2.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 2.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5005 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5005 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7861 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7861 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2150 2.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2150 2.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7861 3.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 3.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1785 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1785 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3916 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3916 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8041 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8041 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3916 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3916 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5666 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5666 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1541 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1541 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5666 -2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5666 -2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5161 -3.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5161 -3.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5806 -3.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5806 -3.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0142 -3.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0142 -3.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3035 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3035 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7162 -1.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7162 -1.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0773 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0773 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8756 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8756 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2884 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2884 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4948 -1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4948 -1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9122 -2.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9122 -2.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5184 -2.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5184 -2.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1711 -1.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1711 -1.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9968 -0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9968 -0.9498 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 39 31 1 0 0 0 0 | + | 39 31 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0028 | + | ID FL5FAGGS0028 |
| − | FORMULA C28H24O14 | + | FORMULA C28H24O14 |
| − | EXACTMASS 584.116605476 | + | EXACTMASS 584.116605476 |
| − | AVERAGEMASS 584.48176 | + | AVERAGEMASS 584.48176 |
| − | SMILES c(c31)c(cc(O)c(C(=O)C(OC(O5)C(C(O)C(O)C5C)OC(c(c4)ccc(c4)O)=O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)O | + | SMILES c(c31)c(cc(O)c(C(=O)C(OC(O5)C(C(O)C(O)C5C)OC(c(c4)ccc(c4)O)=O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)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/
42 46 0 0 0 0 0 0 0 0999 V2000
1.7861 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 2.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 2.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 2.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 3.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1785 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3916 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3916 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5666 -3.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1541 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5666 -2.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5161 -3.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5806 -3.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0142 -3.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 -1.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 -1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2884 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4948 -1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9122 -2.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 -2.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1711 -1.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9968 -0.9498 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
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
25 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 2 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
39 31 1 0 0 0 0
37 19 1 0 0 0 0
S SKP 5
ID FL5FAGGS0028
FORMULA C28H24O14
EXACTMASS 584.116605476
AVERAGEMASS 584.48176
SMILES c(c31)c(cc(O)c(C(=O)C(OC(O5)C(C(O)C(O)C5C)OC(c(c4)ccc(c4)O)=O)=C(O3)c(c2)cc(c(c(O)2)O)O)1)O
M END
