Mol:BMCCPTFO0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 1 0 0 0 0 0999 V2000 3.7321 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.7500 0.0000 C 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 11.5263 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 12 2 0 0 0 0 11 8 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 12 4 1 0 0 0 0 8 7 1 0 0 0 0 1 2 2 0 0 0 0 5 6 2 0 0 0 0 4 3 1 0 0 0 0 4 27 2 0 0 0 0 2 13 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 14 19 2 0 0 0 0 14 15 1 0 0 0 0 19 18 1 0 0 0 0 15 16 2 0 0 0 0 18 17 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 28 2 0 0 0 0 23 21 1 0 0 0 0 23 24 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 22 30 1 0 0 0 0 22 29 2 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 26 32 2 0 0 0 0 7 6 1 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 S SKP 7 ID BMCCPTFO0011 NAME 7,8-Dihydro-folic acid FORMULA C19H21N7O6 EXACTMASS 443.1553 AVERAGEMASS 443.4136 SMILES C(=C21)(NCC(CNc(c3)ccc(c3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=N2)N=C(N)NC1=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00415 M END