Mol:FL5FAAGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2330 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2330 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2330 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2330 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8041 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8041 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8041 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8041 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0896 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0896 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3751 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3751 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3751 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3751 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0896 1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0896 1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0896 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0896 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3391 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3391 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0673 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0673 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7955 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7955 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7955 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7955 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0673 2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0673 2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3391 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3391 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 -1.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 -1.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9472 1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9472 1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4840 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4840 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4495 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4495 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9212 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9212 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9543 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9543 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4495 -0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4495 -0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4854 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4854 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3865 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3865 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5234 2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5234 2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0295 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0295 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9472 -2.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9472 -2.3079 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 0.0107 0.7238 | + | M SBV 1 33 0.0107 0.7238 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0001 | + | ID FL5FAAGS0001 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.2330 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2330 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8041 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 -0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 1.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3391 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0673 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7955 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7955 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0673 2.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3391 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 -1.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9472 1.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4840 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9212 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 -0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4854 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5234 2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0295 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 -2.3079 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 20 1 0 0 0 0
21 25 1 0 0 0 0
20 26 1 0 0 0 0
22 27 1 0 0 0 0
27 8 1 0 0 0 0
15 28 1 0 0 0 0
29 30 1 0 0 0 0
24 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 0.0107 0.7238
S SKP 5
ID FL5FAAGS0001
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C1O
M END
