| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:06 UTC |
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| Update Date | 2025-03-21 18:06:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062427 |
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| Frequency | 49.7 |
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| Structure | |
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| Chemical Formula | C18H27NO6 |
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| Molecular Mass | 353.1838 |
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| SMILES | CC1C(Oc2ccc(CC(N)C(=O)O)cc2)OC(C(O)O)C(C)C1C |
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| InChI Key | SXWTYWVWFZBRKQ-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 | acetalsalpha amino acidsamphetamines and derivativescarbonyl compoundscarbonyl hydratescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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