| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:34 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19N2O2+ |
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| Molecular Mass | 307.1441 |
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| SMILES | NC(Cc1ccc(C[n+]2ccc3ccccc3c2)cc1)C(=O)O |
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| InChI Key | UBKDCZSRFAMDCX-UHFFFAOYSA-O |
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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 | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspolyhalopyridines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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