| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N2O3+ |
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| Molecular Mass | 315.1703 |
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| SMILES | Cc1c(CCO)ccc[n+]1Cc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | UTVWQICJWJILBS-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalcohols and polyolsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspolyhalopyridines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundamphetamine or derivativesalcoholazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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