Mol:134b FLIA
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.2234 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2234 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5089 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7944 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7944 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5089 2.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 -0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3494 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3494 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 2.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4927 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4927 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 1.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4927 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7784 2.0624 0.0000 C 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
1 2 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 10 1 0
5 16 1 0
9 17 2 0
17 16 1 0
15 18 1 0
12 19 1 0
19 20 1 0
21 22 1 0
22 13 1 0
1 23 1 0
23 24 1 0
24 25 2 0
25 2 1 0
18 26 1 0
S SKP 5
ID 134b FLIA
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES COc(c4)c(OC)cc(c(OC)4)C(=C3)C(=O)c(c1)c(O3)cc(o2)c(cc2)1
M END
