| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:16 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024944 |
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| Frequency | 155.4 |
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| Structure | |
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| Chemical Formula | C13H17NO6 |
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| Molecular Mass | 283.1056 |
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| SMILES | COc1cc(CC(NC(C)C(=O)O)C(=O)O)ccc1O |
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| InChI Key | DVHPMPSFQZZSQU-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalanine and derivativesalkyl aryl ethersalpha amino acidsamino acidsanisolescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativesmethoxylated amphetaminesecondary aminemethoxybenzenearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativesalanine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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