Mol:BMCCQI--t002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 1 0 0 0 0 0999 V2000 5.4641 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 2 0 0 0 0 1 11 1 0 0 0 0 9 1 1 0 0 0 0 11 12 1 0 0 0 0 1 2 1 4 0 0 0 12 17 2 0 0 0 0 2 3 1 0 0 0 0 12 13 1 0 0 0 0 3 4 1 0 0 0 0 13 14 2 0 0 0 0 4 10 1 0 0 0 0 14 15 1 0 0 0 0 10 5 1 0 0 0 0 15 16 2 0 0 0 0 17 16 1 0 0 0 0 5 6 2 0 0 0 0 15 22 1 0 0 0 0 6 7 1 0 0 0 0 14 21 1 0 0 0 0 18 19 1 0 0 0 0 S SKP 7 ID BMCCQI--t002 NAME 6-O-Methyl-norlaudanosoline FORMULA C17H19NO4 EXACTMASS 301.1314 AVERAGEMASS 301.337 SMILES COc(c1)c(O)cc(C2Cc(c3)cc(O)c(O)c3)c(CCN2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05203 M END