| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:22 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO4 |
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| Molecular Mass | 225.1001 |
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| SMILES | CC(N)(Cc1ccc(O)cc1)C(O)C(=O)O |
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| InChI Key | MWRSMMPVTDKXNS-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidephenylpropanesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesalcoholhydroxy acidbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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