Mol:BMCCPTFOs005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 1 0 0 0 0 0999 V2000 9.9345 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8005 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8005 3.9385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9345 3.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 3.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 3.9385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3364 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9945 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6665 5.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9345 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 11 1 1 0 0 0 0 12 11 2 0 0 0 0 12 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 4 28 2 0 0 0 0 2 13 1 0 0 0 0 10 15 1 0 0 0 0 18 19 2 0 0 0 0 18 17 1 0 0 0 0 17 16 2 0 0 0 0 16 15 1 0 0 0 0 15 20 2 0 0 0 0 20 19 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 29 2 0 0 0 0 24 22 1 0 0 0 0 24 25 1 6 0 0 0 23 31 1 0 0 0 0 23 30 2 0 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 27 33 1 0 0 0 0 27 32 2 0 0 0 0 26 27 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 6 14 1 4 0 0 0 10 14 1 0 0 0 0 S SKP 7 ID BMCCPTFOs005 NAME 5,10-Methylene-tetrahydro-folic acid FORMULA C20H23N7O6 EXACTMASS 457.1709 AVERAGEMASS 457.4402 SMILES c(c1)c(ccc1N(C4)CN(C34)C(=C2NC3)C(NC(N)=N2)=O)C(N[C@H](CCC(O)=O)C(O)=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00143 M END
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