| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:32 UTC |
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| Update Date | 2025-03-21 18:03:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044650 |
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| Frequency | 82.0 |
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| Structure | |
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| Chemical Formula | C9H10N2O4 |
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| Molecular Mass | 210.0641 |
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| SMILES | Nc1cc(C(=O)NCC(=O)O)ccc1O |
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| InChI Key | KZDCFFYZPCCFAB-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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