Mol:BMSUM6He--18
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
6.3301 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0
3 9 1 1 0 0 0
4 10 1 1 0 0 0
5 11 1 6 0 0 0
6 12 1 0 0 0 0
2 8 1 1 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 2 0 0 0 0
S SKP 7
ID BMSUM6He--18
NAME D-Sorbitol 6-phosphate
FORMULA C6H15O9P
EXACTMASS 262.0453
AVERAGEMASS 262.1516
SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01096
M END
