Mol:BMSUD2A0MG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 13 1 6 0 0 0
5 16 1 6 0 0 0
1 23 1 1 0 0 0
5 4 1 0 0 0 0
3 14 1 6 0 0 0
4 3 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 22 1 0 0 0 0
11 22 1 1 0 0 0
4 15 1 1 0 0 0
7 18 1 6 0 0 0
3 2 1 0 0 0 0
9 20 1 1 0 0 0
5 6 1 0 0 0 0
10 21 1 1 0 0 0
2 1 1 0 0 0 0
11 12 1 0 0 0 0
12 23 1 0 0 0 0
6 17 1 0 0 0 0
8 19 1 6 0 0 0
S SKP 7
ID BMSUD2A0MG01
NAME Epimelibiose
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](OC[C@@H](O2)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05400
M END
