| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:55 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100285 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C14H21N3O8 |
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| Molecular Mass | 359.1329 |
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| SMILES | CC(=O)NC(Cc1cn(C2OC(CO)C(O)C(O)C2O)cn1)C(=O)O |
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| InChI Key | XCANLDJPUOZQNW-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideazolen-substituted imidazolealcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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