| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:18 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127760 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C18H16N2O3 |
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| Molecular Mass | 308.1161 |
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| SMILES | NC(Cc1ccc(Oc2ccnc3ccccc23)cc1)C(=O)O |
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| InChI Key | BEXUJWRTPDUVLY-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspolyhalopyridinesquinolines and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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