| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:28 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O2 |
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| Molecular Mass | 169.0851 |
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| SMILES | NCC(=O)OCCn1ccnc1 |
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| InChI Key | ODIYRJVSZZCYQQ-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundalpha-amino acid esterazacycleheteroaromatic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazolecarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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