| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:18 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218198 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5Cl2NO3 |
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| Molecular Mass | 244.9646 |
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| SMILES | N#Cc1ccc(Cl)c(OCC(=O)O)c1Cl |
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| InChI Key | BVLQEEACJQCXEW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | chlorophenoxyacetates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridesbenzonitrilescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethernitrilecarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetatehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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