| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:09 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19NO5 |
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| Molecular Mass | 341.1263 |
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| SMILES | NC(Cc1ccc(Oc2ccc(C3CCC(=O)O3)cc2)cc1)C(=O)O |
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| InChI Key | KTIKEWYCDMBXRA-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdiarylethersdicarboxylic acids and derivativesdiphenylethersgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstetrahydrofurans |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidlactoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativestetrahydrofurangamma butyrolactoneoxacyclephenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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