| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:09 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO3 |
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| Molecular Mass | 227.0349 |
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| SMILES | CC(=O)NCC(=O)Oc1ccc(Cl)cc1 |
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| InChI Key | YOZGBUCLJWENKU-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 | acetamidesalpha amino acid estersalpha amino acidsaryl chloridescarbonyl compoundscarboxylic acid esterschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidearyl chloridechlorobenzenealpha-amino acid estercarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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