| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:04 UTC |
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| Update Date | 2025-03-21 18:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100632 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C13H8Cl2O4 |
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| Molecular Mass | 297.98 |
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| SMILES | O=C(O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1O |
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| InChI Key | BJBCWGCVMXUTDG-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzenesdiarylethershalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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