| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:33 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186610 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O5 |
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| Molecular Mass | 226.059 |
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| SMILES | Nc1ccc(C(=O)CC(N)C(=O)O)c(=O)o1 |
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| InChI Key | UJEJYSNIEGLUMA-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 | amino acidsaryl alkyl ketonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidketonelactoneorganic oxideorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundheteroaromatic compoundgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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