| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:31 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156963 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9ClO5 |
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| Molecular Mass | 280.0139 |
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| SMILES | O=C(c1ccc(Cl)cc1O)c1c(O)cc(O)cc1O |
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| InChI Key | TXWHWFAUZMKEHY-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 | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesaryl ketonesaryl-phenylketonesbenzoyl derivativeschlorobenzenesdiphenylmethaneshalophenolshydrocarbon derivativesm-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsphloroglucinols and derivativesvinylogous acids |
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| Substituents | diphenylmethaneorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzophenoneketonephloroglucinol derivativeorganic oxidearyl chloridechlorobenzene3-halophenol3-chlorophenolbenzenetriolaryl-phenylketone1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compoundaryl ketone |
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