| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:13 UTC |
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| Update Date | 2025-03-21 18:39:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127574 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C13H14N4O3 |
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| Molecular Mass | 274.1066 |
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| SMILES | Cc1ccccc1C(=O)Nc1c(N)[nH]c(=O)n(C)c1=O |
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| InChI Key | WSQGHLAEFMAASQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonessecondary carboxylic acid amidesvinylogous amideso-toluamides |
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| Substituents | lactamaromatic heteromonocyclic compoundamino acid or derivativesbenzoylpyrimidonecarboxylic acid derivativetoluamidebenzamidepyrimidineorganic oxideo-toluamideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundtolueneamineorganooxygen compound |
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