| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:27 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO6 |
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| Molecular Mass | 295.1056 |
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| SMILES | COc1cc(C=CC(=O)N(CCO)CC(=O)O)ccc1O |
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| InChI Key | DBSYEBBHFDVNDC-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsalkanolaminesalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholn-acyl-alpha-amino acidcarboxamide groupmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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