| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:47 UTC |
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| Update Date | 2025-03-21 18:35:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104909 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C9H13N3O5 |
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| Molecular Mass | 243.0855 |
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| SMILES | NC(Cc1cn(CC(O)C(=O)O)cn1)C(=O)O |
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| InChI Key | MXRCFLSGMJGIPF-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 heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundhydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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