Mol:BMFYB4PHr001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
6.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.5000 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
3.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
1 6 1 0 0 0 0
2 5 1 0 0 0 0
3 4 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
8 10 1 0 0 0 0
8 9 2 0 0 0 0
12 14 1 0 0 0 0
12 15 2 0 0 0 0
S SKP 7
ID BMFYB4PHr001
NAME [(E) - 4-Hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate
CAS_RN 396726-03-7
FORMULA C5H12O8P2
EXACTMASS 262.0007
AVERAGEMASS 262.0915
SMILES OCC(C)=CCOP(O)(=O)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11811
M END
