| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:45 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O3 |
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| Molecular Mass | 273.1113 |
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| SMILES | O=C1NCCC2C(O)=NC(Cc3ccccc3)C(=O)N12 |
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| InChI Key | TWOPNXCCENRCDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativescyclic carboximidic acidsdiazinanesdicarboximideshydrocarbon derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidones |
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| Substituents | monocyclic benzene moietycarbonyl grouppyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compound1,3-diazinaneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl ureacarbonic acid derivativeazacycleorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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