| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O3 |
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| Molecular Mass | 220.0848 |
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| SMILES | N#CCNC(Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | WSGXAMYOJFQRIT-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileamphetamine or derivativessecondary aliphatic aminetyrosine or derivativessecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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