| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:18 UTC |
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| Update Date | 2025-03-21 18:00:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025004 |
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| Frequency | 161.4 |
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| Structure | |
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| Chemical Formula | C15H14N2O3 |
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| Molecular Mass | 270.1004 |
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| SMILES | O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1 |
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| InChI Key | KSZPRUJKMRILRZ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidnicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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