Mol:FL2FACNI0021
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 0.0052 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -1.3796 ...) |
Revision as of 17:32, 28 July 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
0.0052 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4129 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4129 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 0.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5243 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9685 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9685 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5243 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7103 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6897 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2447 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7386 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 -2.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5461 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2606 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6897 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5648 -1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 4 1 0
9 11 1 0
7 12 2 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
2 18 1 0
15 19 1 0
16 20 1 0
21 6 1 0
22 23 1 0
23 24 2 0
24 25 1 0
24 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 0
1 22 1 0
S SKP 5
ID FL2FACNI0021
FORMULA C25H30O7
EXACTMASS 442.199153314
AVERAGEMASS 442.50149999999996
SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1
M END
