| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9ClO4 |
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| Molecular Mass | 264.0189 |
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| SMILES | O=C(O)c1cc(Cl)cc(Oc2ccc(O)cc2)c1 |
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| InChI Key | JCWUXOXFNREUSA-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-hydroxy-2-unsubstituted benzenoids3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzenesdiarylethershalobenzoic acidshydrocarbon derivativesmonocarboxylic 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 acidbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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