| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:24 UTC |
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| Update Date | 2025-03-21 17:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020681 |
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| Frequency | 195.2 |
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| Structure | |
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| Chemical Formula | C10H15N3O4 |
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| Molecular Mass | 241.1063 |
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| SMILES | CC(NC(Cc1cncn1C)C(=O)O)C(=O)O |
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| InChI Key | JLSOGNBUXOOTJE-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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