| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:16 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O6 |
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| Molecular Mass | 268.0695 |
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| SMILES | O=C(O)CNc1ccc(C(=O)NC(O)C(=O)O)cc1 |
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| InChI Key | VVJSLMNYYLCGHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativesamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminen-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativeshydroxy acidsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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