Mol:BMSUD2AeCC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17 6 1 0 0 0 0
5 16 1 1 0 0 0
1 16 1 0 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 25 1 6 0 0 0
3 14 1 1 0 0 0
4 15 1 6 0 0 0
11 26 1 6 0 0 0
26 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 11 1 0 0 0 0
11 12 1 0 0 0 0
7 22 1 4 0 0 0
8 23 1 1 0 0 0
9 24 1 6 0 0 0
10 25 1 1 0 0 0
2 13 1 6 0 0 0
12 27 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 21 1 0 0 0 0
18 20 2 0 0 0 0
S SKP 7
ID BMSUD2AeCC02
NAME Maltose 6'-phosphate
FORMULA C12H23O14P
EXACTMASS 422.0825
AVERAGEMASS 422.2763
SMILES OC[C@@H](O1)[C@@H](O[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2)[C@H](O)[C@@H](O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02995
M END
