Mol:BMSUM6Ke--08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
3.2601 1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.6585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9511 -0.2925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7601 -0.8803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5691 -0.2925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 0.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 -1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -1.1585 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0691 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0691 -1.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 11 1 0 0 0 0
5 11 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
4 10 1 6 0 0 0
3 9 1 6 0 0 0
6 12 1 0 0 0 0
12 13 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
13 14 2 0 0 0 0
2 8 1 4 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
S SKP 7
ID BMSUM6Ke--08
NAME D-Tagatose 6-phosphate
FORMULA C6H13O9P
EXACTMASS 260.0297
AVERAGEMASS 260.1357
SMILES OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01097
M END
