| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:34 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H8ClNO3 |
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| Molecular Mass | 273.0193 |
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| SMILES | N#Cc1ccc(Oc2ccc(C(=O)O)cc2)c(Cl)c1 |
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| InChI Key | RWCGUDJFCIRMRX-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzoic acidsbenzonitrilesbenzoyl derivativescarboxylic acidschlorobenzenesdiarylethershydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrilecarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidcarbonitrilearyl chloridechlorobenzenebenzoic acid or derivativesbenzonitrilearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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