| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClO4 |
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| Molecular Mass | 230.0346 |
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| SMILES | O=C(O)CC(O)Cc1cc(O)cc(Cl)c1 |
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| InChI Key | KTXRAIGFGQDOIU-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 | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidearyl chloridechlorobenzenealcohol3-halophenol3-chlorophenolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzeneorganooxygen compound |
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