| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12ClNO5 |
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| Molecular Mass | 273.0404 |
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| SMILES | COc1cc(Cl)c(C(=O)NCC(=O)O)cc1OC |
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| InChI Key | FTZZCJMQLNWTDQ-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 | 2-halobenzoic acids and derivativesalkyl aryl ethersalpha amino acidsanisolesaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzenesdimethoxybenzeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous halides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridebenzoylalkyl aryl etherorganohalogen compoundbenzamidedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupmethoxybenzenevinylogous haliden-acylglycine2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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