Mol:BMSUM7Ue--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
6.3301 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 1 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
6 7 1 0 0 0 0
7 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 18 1 0 0 0 0
6 13 1 6 0 0 0
2 10 2 0 0 0 0
1 8 2 0 0 0 0
4 11 1 1 0 0 0
15 17 2 0 0 0 0
5 12 1 1 0 0 0
S SKP 7
ID BMSUM7Ue--01
NAME 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate
FORMULA C7H13O10P
EXACTMASS 288.0246
AVERAGEMASS 288.1458
SMILES OC(=O)C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04691
M END
