Mol:BMSUM6He--09
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 1 0 0 0 0 0999 V2000 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.6340 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 3.3660 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 24 1 6 0 0 0 1 7 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 4 14 1 6 0 0 0 5 19 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 10 2 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 23 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 19 1 0 0 0 0 S SKP 7 ID BMSUM6He--09 NAME 1D-myo-Inositol 1,4,5-trisphosphate FORMULA C6H15O15P3 EXACTMASS 419.9623 AVERAGEMASS 420.0955 SMILES O[C@H]([C@H](O)1)[C@H]([C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O)OP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01245 M END