| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:49 UTC |
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| Update Date | 2025-03-25 01:00:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO5 |
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| Molecular Mass | 309.1576 |
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| SMILES | CCCCC(O)C(O)=NC(Cc1ccc(OC)cc1)C(=O)O |
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| InChI Key | VKPMZSWBDTYGQI-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 | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | phenol ethercarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholmethoxylated amphetamineorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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