Mol:BMMCQN--s009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 34 0 0 1 0 0 0 0 0999 V2000 16.7224 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 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 3 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 3.7321 -0.5000 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 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 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 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 2 0 0 0 0 6 5 2 0 0 0 0 14 15 1 0 0 0 0 5 10 1 0 0 0 0 15 16 1 0 0 0 0 9 8 1 0 0 0 0 14 28 1 0 0 0 0 10 9 2 0 0 0 0 16 17 1 0 0 0 0 10 4 1 0 0 0 0 17 18 1 0 0 0 0 4 3 1 0 0 0 0 18 19 1 0 0 0 0 3 2 2 0 0 0 0 19 20 1 0 0 0 0 2 1 1 0 0 0 0 18 29 1 4 0 0 0 1 9 1 0 0 0 0 20 21 1 0 0 0 0 2 11 1 0 0 0 0 21 22 1 0 0 0 0 1 32 2 0 0 0 0 22 23 1 0 0 0 0 4 33 2 0 0 0 0 22 30 1 4 0 0 0 23 24 1 0 0 0 0 3 12 1 0 0 0 0 24 25 1 0 0 0 0 7 8 2 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 7 6 1 0 0 0 0 26 31 1 0 0 0 0 S SKP 7 ID BMMCQN--s009 NAME Phylloquinone FORMULA C31H46O2 EXACTMASS 450.3497 AVERAGEMASS 450.6957 SMILES CC(C)CCCC(CCCC(C)CCCC(C)=CCc(c(C)2)c(=O)c(c(c(=O)2)1)cccc1)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02059 M END