Mol:FL5FAAGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7697 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7697 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7697 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7697 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0681 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0681 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3666 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3666 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3666 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3666 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0681 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0681 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0365 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0365 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0365 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0365 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 1.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 1.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3349 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3349 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7378 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7378 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4528 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4528 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1678 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1678 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1678 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1678 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4528 3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4528 3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7378 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7378 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0681 -0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0681 -0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4710 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4710 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8826 3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8826 3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5813 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5813 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7841 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7841 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2729 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2729 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3329 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3329 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3871 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3871 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8981 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8981 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8383 -1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8383 -1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6080 -1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6080 -1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8826 -2.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8826 -2.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7821 -2.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7821 -2.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3871 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3871 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0009 | + | ID FL5FAAGS0009 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)1)cc(O)cc1OC(O2)C(O)C(O)C(O)C(C)2 | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)1)cc(O)cc1OC(O2)C(O)C(O)C(O)C(C)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.7697 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3666 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3666 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 1.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1678 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1678 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 -0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8826 3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5813 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2729 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3329 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3871 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8383 -1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6080 -1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8826 -2.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7821 -2.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3871 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 5
ID FL5FAAGS0009
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)1)cc(O)cc1OC(O2)C(O)C(O)C(O)C(C)2
M END
