| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:59 UTC |
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| Update Date | 2025-03-21 17:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006094 |
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| Frequency | 868.7 |
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| Structure | |
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| Chemical Formula | C13H15NO6 |
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| Molecular Mass | 281.0899 |
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| SMILES | COc1cc(C=CC(=O)NCC(=O)O)cc(OC)c1O |
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| InChI Key | HRZTZBIMPFBPGT-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenolalkyl aryl etherhydroxycinnamic acid or derivativesdimethoxybenzenecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupmethoxybenzenen-acylglycinehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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