| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:32 UTC |
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| Update Date | 2025-03-21 18:33:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094475 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C8H12N4O4 |
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| Molecular Mass | 228.0859 |
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| SMILES | CC(O)C(=O)Nc1c(N)[nH]c(=O)n(C)c1=O |
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| InChI Key | ZIMRREOQZZBGGN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-arylamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundamino acid or derivativespyrimidonen-arylamidecarboxylic acid derivativepyrimidineorganic oxideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineamineorganooxygen compound |
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