| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:28 UTC |
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| Update Date | 2025-03-21 17:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014229 |
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| Frequency | 324.1 |
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| Structure | |
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| Chemical Formula | C12H16N2O5 |
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| Molecular Mass | 268.1059 |
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| SMILES | COc1cc(CC(N)C(=O)NCC(=O)O)ccc1O |
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| InChI Key | WWOQVHJVRUCEIZ-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdipeptidesfatty amideshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativessecondary carboxylic acid amidestyrosine and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesalpha-amino acid amidemethoxylated amphetaminecarboxamide groupmethoxybenzenen-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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