| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:15 UTC |
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| Update Date | 2025-03-25 00:52:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO7 |
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| Molecular Mass | 351.1318 |
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| SMILES | CCC(=O)NC(COC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)O |
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| InChI Key | CCKSMSOJANBGLI-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 | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherdimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoate estern-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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