| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:42 UTC |
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| Update Date | 2025-03-21 18:34:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099762 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3 |
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| Molecular Mass | 262.1317 |
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| SMILES | O=C(Cc1ccccc1)NC(C(=O)O)C1CCCN1 |
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| InChI Key | LMLBBLMKWKMSIO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylacetamidespyrrolidinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinephenylacetamideorganoheterocyclic compoundsecondary aliphatic amineazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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