| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:58 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224407 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N4O3 |
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| Molecular Mass | 194.044 |
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| SMILES | O=C(O)C1=Nc2ncc(=O)[nH]c2NC1 |
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| InChI Key | ORWZAMLIYHVRPR-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 | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketimineslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrazines |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativeorganooxygen compound |
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