| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:36 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135409 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O2 |
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| Molecular Mass | 176.0586 |
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| SMILES | O=C(O)Cn1cnc2ccccc21 |
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| InChI Key | AFHSZBKDUTWXDX-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundalpha-amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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