Mol:007a FLIA
From Metabolomics.JP
(Redirected from Mol:FLIAAANI0014)
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.8587 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2847 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2847 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 -1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 -1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2411 -1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2411 -1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2847 -1.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2856 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2856 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9982 -1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 1.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9982 -2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 2.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2829 3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1425 3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4110 0.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2874 -0.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 5 1 0
8 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 11 2 0
1 2 1 0
7 17 2 0
3 18 1 0
2 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
21 23 1 0
6 24 1 0
24 25 1 0
26 14 1 0
25 27 2 0
27 28 1 0
27 29 1 0
1 30 1 0
19 31 1 0
S SKP 5
ID 007a FLIA
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(C)=CCc(c(O)1)c(O3)c(C(=O)C(=C3)c(c2)ccc(O)c2)c(O)c(C(O)C=C(C)C)1
M END
