| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185917 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N3O |
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| Molecular Mass | 213.0902 |
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| SMILES | O=C(Cc1ccccc1)Nc1ncccn1 |
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| InChI Key | LEQCJDGZHLLEBA-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-arylamidecarboxamide groupcarboxylic acid derivativepyrimidinesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenylacetamideorganoheterocyclic compoundorganooxygen compound |
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