Mol:BMFYB5CAe005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
6.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 6 1 6 0 0 0
3 9 1 1 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
10 11 1 0 0 0 0
11 14 1 0 0 0 0
11 13 1 0 0 0 0
11 12 2 0 0 0 0
14 15 1 0 0 0 0
15 17 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
S SKP 7
ID BMFYB5CAe005
NAME (3R) -3-Hydroxy-5- [hydroxy (phosphonooxy) phosphoryl] oxy-3-methylpentanoic acid
CAS_RN 103025-21-4
FORMULA C6H14O10P2
EXACTMASS 308.0062
AVERAGEMASS 308.1168
SMILES OC(=O)C[C@@](C)(O)CCOP(O)(=O)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01143
M END
