| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27NO5 |
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| Molecular Mass | 385.1889 |
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| SMILES | CC(C)(C)c1cc(CCC(=O)O)ccc1Oc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | AASSHWUOLNERNG-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanesphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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