| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:44:54 UTC |
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| Update Date | 2025-03-21 18:00:18 UTC |
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| HMDB ID | HMDB0256246 |
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| Metabolite Identification |
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| DeepMet ID | DMID00026451 |
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| Name | Pentachlorobenzene |
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| Frequency | 144.7 |
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| Structure | |
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| Chemical Formula | C6HCl5 |
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| Molecular Mass | 247.8521 |
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| SMILES | Clc1cc(Cl)c(Cl)c(Cl)c1Cl |
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| InChI Key | CEOCDNVZRAIOQZ-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 | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideshydrocarbon derivativesorganochlorides |
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| Substituents | aryl chloridechlorobenzenearomatic homomonocyclic compoundorganochloridehydrocarbon derivativeorganohalogen compoundaryl halide |
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