| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:28 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252743 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O5 |
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| Molecular Mass | 344.1372 |
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| SMILES | NC(Cc1ccc(NC(Cc2ccc(O)cc2)C(=O)O)cc1)C(=O)O |
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| InChI Key | CQNUVWJMUXDQCX-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylalkylaminesphenylpropanoic acidssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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