Mol:FL6FACGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6806 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6806 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9661 -0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9661 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4628 -0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1772 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4628 0.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8917 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6121 0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3325 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3325 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6121 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8917 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0519 1.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3949 0.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6121 2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5301 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0181 -2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2809 -2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5696 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0866 -1.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7315 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0519 -2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5674 -2.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6509 -2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -1.7977 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 6 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
29 3 1 0 0 0 0
S SKP 5
ID FL6FACGS0001
FORMULA C20H22O9
EXACTMASS 406.126382302
AVERAGEMASS 406.38328
SMILES C(O1)(Oc(c4)c(c(cc(O)4)3)CCC(O3)c(c2)cc(c(O)c2)O)C(O)C(C(O)C1)O
M END
