Mol:BMSUD2AeCC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 28 0 0 1 0 0 0 0 0999 V2000 4.5981 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 16 1 1 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 16 1 0 0 0 0 5 6 1 0 0 0 0 1 25 1 4 0 0 0 3 14 1 1 0 0 0 4 15 1 6 0 0 0 2 13 1 6 0 0 0 6 17 1 0 0 0 0 11 26 1 1 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 9 8 1 0 0 0 0 8 7 1 0 0 0 0 7 26 1 0 0 0 0 11 12 1 0 0 0 0 7 22 1 4 0 0 0 9 24 1 1 0 0 0 10 25 1 6 0 0 0 8 23 1 6 0 0 0 12 27 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 S SKP 7 ID BMSUD2AeCC01 NAME 6-Phospho-D-glucosyl-(1,4)-D-glucose FORMULA C12H23O14P EXACTMASS 422.0825 AVERAGEMASS 422.2763 SMILES OC[C@@H](O1)[C@@H](OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2)[C@H](O)[C@@H](O)C(O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04534 M END