| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:50 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178176 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10Cl2O3 |
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| Molecular Mass | 296.0007 |
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| SMILES | COC(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |
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| InChI Key | YSDKONNPVKULRF-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 | 3-halobenzoic acids and derivativesaryl chloridesbenzoic acid estersbenzoyl derivativeschlorobenzenesdiarylethershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherether3-halobenzoic acid or derivativesorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundorganic oxidemethyl esteraryl chloridechlorobenzenebenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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