| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:52 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033399 |
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| Frequency | 108.6 |
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| Structure | |
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| Chemical Formula | C9H10Cl2O3 |
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| Molecular Mass | 236.0007 |
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| SMILES | OCC(O)COc1ccc(Cl)cc1Cl |
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| InChI Key | ZIBOAPBPXIPVLG-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersaryl chlorideshydrocarbon derivativesorganochloridesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aryl chloridealcoholphenol etheretherorganochloridealkyl aryl etherorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound1,2-diol |
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