| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:40 UTC |
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| Update Date | 2025-03-21 18:30:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080622 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C13H11Cl |
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| Molecular Mass | 202.0549 |
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| SMILES | Cc1ccc(-c2ccc(Cl)cc2)cc1 |
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| InChI Key | XYOKCUNCQZYSPK-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 | biphenyls and derivatives |
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| Direct Parent | chlorinated biphenyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesorganochloridestoluenes |
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| Substituents | aryl chloridechlorobenzeneorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundhydrocarbon derivativehalobenzenechlorinated biphenyltoluene |
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