Mol:FL63AAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.9769 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 0.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7255 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6913 0.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 -1.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -0.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7408 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1108 -0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3993 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7967 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6913 -0.6623 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
22 19 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 5
ID FL63AAGS0001
FORMULA C20H22O9
EXACTMASS 406.126382302
AVERAGEMASS 406.38328
SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)O)C1
M END
