| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:17 UTC |
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| Update Date | 2025-03-21 17:57:16 UTC |
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| HMDB ID | HMDB0250054 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006772 |
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| Name | 3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid |
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| Frequency | 757.3 |
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| Structure | |
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| Chemical Formula | C15H23NO4 |
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| Molecular Mass | 281.1627 |
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| SMILES | CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1 |
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| InChI Key | ILSCWPMGTDPATI-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 ethersamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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