| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:43 UTC |
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| Update Date | 2025-03-21 18:33:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097373 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C17H18N2O5 |
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| Molecular Mass | 330.1216 |
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| SMILES | NC(CC(=O)O)C(=O)NC(Cc1cccc2ccccc12)C(=O)O |
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| InChI Key | VRNBKFZNGYGLFN-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 | dipeptides |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidaromatic homopolycyclic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidenaphthaleneorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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