Mol:FL5FACGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -3.2313 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2313 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2313 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2313 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5301 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5301 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8289 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8289 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8289 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8289 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5301 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5301 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1278 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1278 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4266 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4266 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4266 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4266 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1278 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1278 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1278 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1278 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2743 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2743 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7035 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7035 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7035 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7035 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2743 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2743 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4319 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4319 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7149 -0.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7149 -0.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8687 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8687 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8167 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8167 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5010 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5010 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3474 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3474 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3994 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3994 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9322 -2.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9322 -2.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4180 2.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4180 2.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5301 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5301 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 3.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 3.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6109 -0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6109 -0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0244 -3.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0244 -3.0507 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 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 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0003 | + | ID FL5FACGS0003 |
| − | FORMULA C20H18O11 | + | FORMULA C20H18O11 |
| − | EXACTMASS 434.084911418 | + | EXACTMASS 434.084911418 |
| − | AVERAGEMASS 434.35032 | + | AVERAGEMASS 434.35032 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
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
-3.2313 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2313 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5301 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5301 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4266 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4266 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2743 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7035 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7035 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2743 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4319 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -0.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8687 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8167 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5010 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9322 -2.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4180 2.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5301 -1.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 3.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 -0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0244 -3.0507 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
24 26 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 27 1 0 0 0 0
3 28 1 0 0 0 0
16 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
S SKP 5
ID FL5FACGS0003
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
