Mol:BMSUD2K0GC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 22 1 1 0 0 0
22 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 18 1 4 0 0 0
8 19 1 6 0 0 0
17 6 1 0 0 0 0
5 16 1 6 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 21 1 6 0 0 0
2 13 1 1 0 0 0
3 14 2 0 0 0 0
4 15 1 6 0 0 0
9 20 1 1 0 0 0
10 21 1 6 0 0 0
23 12 1 0 0 0 0
S SKP 7
ID BMSUD2K0GC01
NAME 3-Keto-lactose
FORMULA C12H20O11
EXACTMASS 340.1005
AVERAGEMASS 340.2806
SMILES OC[C@@H](O1)[C@H](O)C(=O)[C@@H](O)[C@@H]1O[C@H]([C@@H](CO)2)[C@H](O)[C@@H](O)C(O)O2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05403
M END
