| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:27 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O5 |
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| Molecular Mass | 254.0903 |
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| SMILES | CC(=O)Nc1cccn(C(C(=O)O)C(C)O)c1=O |
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| InChI Key | MMWSMJPDKCFWKL-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundspyridinonessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundn-arylamidealpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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