| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:31 UTC |
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| Update Date | 2025-03-25 00:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232179 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4 |
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| Molecular Mass | 316.1423 |
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| SMILES | CCC1=C(C)C(Cc2ccccc2C(=O)NCC(=O)O)NC1=O |
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| InChI Key | FLXGYYHMSNCADZ-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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