Mol:FL3FE9GS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.0207 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0207 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8371 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8371 -0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2795 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 0.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8178 0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1128 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7545 1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0076 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -1.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0934 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
20 28 1 0 0 0 0
21 18 1 0 0 0 0
2 29 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 5
ID FL3FE9GS0004
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cccc4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1
M END
