| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:05 UTC |
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| Update Date | 2025-03-25 00:52:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO4 |
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| Molecular Mass | 305.1627 |
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| SMILES | CCCCCCC(=C=O)NC(Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | APUOXUDMEJOSMO-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 derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidsynolates |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativessecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundynolatephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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