| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:07 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249653 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO3 |
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| Molecular Mass | 263.1521 |
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| SMILES | Cc1ccc(C(C)C)cc1CCC(=O)NCC(=O)O |
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| InChI Key | DNDQWBXQGVTDGT-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumenesfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanessecondary carboxylic acid amidestoluenes |
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| Substituents | fatty acylmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty amidep-cymenephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenecarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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