| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:13 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208612 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23NO7 |
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| Molecular Mass | 365.1475 |
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| SMILES | CC(C)(C)COC(=O)c1ccccc1C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | KEEUSSHYHMAKBD-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 | alpha amino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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