Mol:BMMCHC--k033
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 9 9 0 0 0 0 0 0 0 0999 V2000 3.7321 1.0000 0.0000 N 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 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 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 4.5981 -0.5000 0.0000 C 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 5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 S SKP 6 ID BMMCHC--k033 NAME Pyrazinoic acid FORMULA C5H4N2O2 EXACTMASS 124.0272 AVERAGEMASS 124.0975 SMILES OC(=O)c(c1)nccn1 M END
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