| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:35 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250759 |
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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 | O=C(O)CCC(NC(=O)c1ccc(C(O)CO)cc1)C(=O)O |
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| InChI Key | KAFYBQXNVVEEIK-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 | 1,2-diolsalpha amino acidsaromatic alcoholsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcohol1,2-dioln-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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