| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:00 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO6 |
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| Molecular Mass | 333.1212 |
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| SMILES | COc1cc(Oc2ccc(CC(N)C(=O)O)cc2OC)ccc1O |
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| InChI Key | SBTPXEUTXKCVDW-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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