| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163385 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N3O3 |
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| Molecular Mass | 231.0644 |
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| SMILES | O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccccc1 |
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| InChI Key | KBXVZOQVKDHFLW-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 | azacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundbenzoylpyrimidonecarboxylic acid derivativebenzamidepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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