Mol:BMSUD2AeCC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 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
7.1962 -2.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -1.8840 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
5 16 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 16 1 0 0 0 0
5 6 1 0 0 0 0
3 14 1 6 0 0 0
4 15 1 1 0 0 0
1 22 1 4 0 0 0
2 13 1 1 0 0 0
6 17 1 0 0 0 0
11 26 1 6 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 26 1 4 0 0 0
11 12 1 0 0 0 0
9 24 1 6 0 0 0
10 25 1 1 0 0 0
8 23 1 1 0 0 0
7 22 1 0 0 0 0
12 27 1 0 0 0 0
17 18 1 0 0 0 0
18 21 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
S SKP 7
ID BMSUD2AeCC03
NAME Trehalose 6-phosphate
FORMULA C12H23O14P
EXACTMASS 422.0825
AVERAGEMASS 422.2763
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](COP(O)(O)=O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00689
M END
