Mol:BMSUD2AeCC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 28 0 0 1 0 0 0 0 0999 V2000 3.7321 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.7500 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 5.4641 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7500 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 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 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 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 16 1 6 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 3 14 1 6 0 0 0 4 15 1 1 0 0 0 1 22 1 4 0 0 0 2 13 1 1 0 0 0 6 17 1 0 0 0 0 11 26 1 6 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 4 0 0 0 11 12 1 0 0 0 0 9 24 1 6 0 0 0 10 25 1 1 0 0 0 8 23 1 1 0 0 0 7 22 1 0 0 0 0 12 27 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 S SKP 7 ID BMSUD2AeCC03 NAME Trehalose 6-phosphate FORMULA C12H23O14P EXACTMASS 422.0825 AVERAGEMASS 422.2763 SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00689 M END