| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:04 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO7 |
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| Molecular Mass | 283.0692 |
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| SMILES | NC(CC(Oc1ccccc1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | WWNVOXXAPAHJGU-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativestricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidbenzoyltricarboxylic acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativesglutamic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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