Mol:FLIDHXNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.0914 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0914 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5351 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5351 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8795 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5834 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0799 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4737 0.5150 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIDHXNF0005
KNApSAcK_ID C00009691
NAME Glyceofuran
CAS_RN 78873-52-6
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c23)c(c1cc2OCC(O)(c54)C3Oc4cc(O)cc5)cc(o1)C(C)(C)O
M END
