Mol:028 FLIB
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.6298 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9155 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2010 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2010 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9155 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4865 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4865 2.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9419 0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9419 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 -0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4697 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4697 0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4865 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3442 2.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 1.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9155 -0.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4203 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4697 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2336 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2336 -0.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6461 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0586 -1.5845 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
7 8 1 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
1 2 1 0
7 17 2 0
1 18 1 0
16 19 1 0
3 20 1 0
19 21 1 0
18 22 1 0
13 23 1 0
23 24 2 0
24 25 1 0
25 26 1 0
26 14 1 0
25 27 1 0
25 28 1 0
S SKP 5
ID 028 FLIB
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES COc(c4)cc(O3)c(c(O)4)C(=O)C(C3)c(c1)c(OC)cc(O2)c(C=CC(C)(C)2)1
M END
