| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:06 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O8 |
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| Molecular Mass | 328.0907 |
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| SMILES | O=C(CNC(=O)c1cccnc1)OC1OC(O)C(O)C(O)C1O |
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| InChI Key | LZKXUKHXXBFYHY-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsalpha-amino acyl ester of carbohydratesazacyclic compoundscarbonyl compoundscarboxylic acid estershemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundnicotinamidemonosaccharidesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholalpha-amino acid esterazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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