Mol:BMSUD2A0CC05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 2 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 -2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.2500 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
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.2500 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
5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 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
4.5981 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 20 1 6 0 0 0
10 21 1 1 0 0 0
23 12 1 0 0 0 0
11 22 1 6 0 0 0
7 22 1 4 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 11 1 0 0 0 0
11 12 1 0 0 0 0
7 18 1 0 0 0 0
8 19 1 1 0 0 0
17 6 1 0 0 0 0
5 16 1 6 0 0 0
1 16 1 4 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 18 1 0 0 0 0
2 13 1 1 0 0 0
3 14 1 6 0 0 0
4 15 1 1 0 0 0
S SKP 7
ID BMSUD2A0CC05
NAME Trehalose
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01083
M END
</pre>
