Mol:FL4DAAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.2880 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4722 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0257 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0086 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1605 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5841 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -0.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7473 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3156 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0086 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7369 -2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 23 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 5
ID FL4DAAGS0001
FORMULA C20H20O10
EXACTMASS 420.10564686
AVERAGEMASS 420.3668
SMILES O(c32)C(c(c4)ccc(O)c4)C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O
M END
