| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:15 UTC |
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| Update Date | 2025-03-25 00:52:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO7 |
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| Molecular Mass | 311.1005 |
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| SMILES | CCC(=O)NC(COC(O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | VNUVKRPPTGNYLA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsaromatic alcoholsbenzoic acidsbenzoyl derivativesbenzyletherscarbonyl compoundsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzyletherbenzoylorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetal1-carboxy-2-haloaromatic compoundbenzoic acidn-acyl-alpha-amino acidbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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