Mol:FL5FAGGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0623 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0623 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0623 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0623 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3610 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3610 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3610 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3610 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9583 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9583 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2570 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2570 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2570 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2570 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9583 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9583 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9583 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9583 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4440 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4440 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8737 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8737 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8737 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8737 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4440 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4440 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7634 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7634 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5600 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5600 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8781 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8781 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3893 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3893 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3291 -1.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3291 -1.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2744 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2744 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7634 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7634 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8236 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8236 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1897 -1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1897 -1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1032 -0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1032 -0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6829 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6829 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5882 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5882 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3610 -2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3610 -2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5882 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5882 -0.2297 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0002 | + | ID FL5FAGGS0002 |
| − | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
| − | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
| − | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
| − | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 | + | SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-3.0623 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0623 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2570 -1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2570 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9583 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7634 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5600 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8781 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3893 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2744 -1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1897 -1.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1032 -0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6829 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 -0.2297 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
14 32 1 0 0 0 0
S SKP 5
ID FL5FAGGS0002
FORMULA C20H18O12
EXACTMASS 450.07982604
AVERAGEMASS 450.34972
SMILES C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1
M END
