| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:20 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167817 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO7 |
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| Molecular Mass | 351.1318 |
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| SMILES | CC(C)CCC(=O)NC(COC(=O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | ZFLWFITYHCZGTN-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 acidsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidebenzoyltricarboxylic acid or derivativesbenzoate esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidn-acyl-alpha-amino acidbenzoic acid or derivativescarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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