| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:54 UTC |
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| Update Date | 2025-03-21 18:32:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090542 |
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| Frequency | 31.1 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | Cc1ccc(C(=O)NCC(=O)O)c(C)c1O |
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| InChI Key | YPJRTRSEWKBJBE-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-4-unsubstituted benzenoidsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolssecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzamidexyleneorganic oxideo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesm-xylenebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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