| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:55 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6 |
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| Molecular Mass | 255.0743 |
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| SMILES | COc1cc(C(=O)O)c(CC(N)C(=O)O)cc1O |
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| InChI Key | PKRVUBBTROWCKR-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesamphetamine or derivativesmethoxylated amphetaminebenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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