Mol:BMMCBZ4SS601
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 1 0 0 0 0 0999 V2000 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 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 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 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 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 7 1 0 0 0 0 12 11 2 0 0 0 0 11 10 1 0 0 0 0 10 9 2 0 0 0 0 9 8 1 0 0 0 0 8 7 2 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 21 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 10 24 1 0 0 0 0 1 19 1 0 0 0 0 5 19 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 24 1 6 0 0 0 5 6 1 0 0 0 0 6 20 1 0 0 0 0 4 18 1 1 0 0 0 2 16 1 1 0 0 0 3 17 1 6 0 0 0 S SKP 7 ID BMMCBZ4SS601 NAME Syringin FORMULA C17H24O9 EXACTMASS 372.142 AVERAGEMASS 372.367 SMILES OCC=Cc(c1)cc(OC)c(O[C@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2)c(OC)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01533 M END