| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:26 UTC |
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| Update Date | 2025-03-25 00:46:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O6 |
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| Molecular Mass | 297.0961 |
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| SMILES | CC(=O)N1CC(O)CC(c2c[nH]c(=O)[nH]c2=O)C1C(=O)O |
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| InChI Key | LJUVDVCSNWIPHV-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acylpiperidinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspyrimidonessecondary alcoholstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundacetamidealcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupn-acyl-piperidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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