Mol:BMSUM6Ae--02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 15 0 0 1 0 0 0 0 0999 V2000 3.7321 1.0000 0.0000 C 0 0 3 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 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 5.4641 -1.0000 0.0000 C 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 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 0.5000 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 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 11 1 0 0 0 0 5 11 1 6 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 12 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 4 10 1 1 0 0 0 3 9 1 1 0 0 0 2 8 1 1 0 0 0 1 7 1 4 0 0 0 S SKP 7 ID BMSUM6Ae--02 NAME D-Allose 6-phosphate FORMULA C6H13O8P EXACTMASS 244.0348 AVERAGEMASS 244.1363 SMILES OC(O1)[C@H](O)[C@H](O)[C@H](O)[C@H]1CP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02962 M END