| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:42 UTC |
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| Update Date | 2025-03-21 18:03:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047462 |
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| Frequency | 70.2 |
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| Structure | |
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| Chemical Formula | C12H17N3O5 |
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| Molecular Mass | 283.1168 |
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| SMILES | Cn1cncc1CC(NC(=O)OC1CCOC1)C(=O)O |
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| InChI Key | VNBCAIOCVOZLDR-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 | azacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compounddialkyl etherorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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