| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:10 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO4 |
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| Molecular Mass | 329.1627 |
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| SMILES | CC(C(=O)O)c1ccc(COc2ccc(CC(N)CO)cc2)cc1 |
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| InChI Key | CHDSMYNSJPHEDX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamphetamines and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary alcohols |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidp-cymenealkyl aryl ethercarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundaromatic monoterpenoid |
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