| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:33:03 UTC |
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| Update Date | 2025-03-25 00:43:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02139601 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H5ClO |
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| Molecular Mass | 128.0029 |
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| SMILES | O=C1C=CCC(Cl)=C1 |
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| InChI Key | NYMMYVOAWUGKRQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | vinyl halides |
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| Subclass | vinylogous halides |
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| Direct Parent | vinylogous halides |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | chloroalkenescyclic ketoneshydrocarbon derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | carbonyl groupchloroalkeneorganochloridecyclic ketonevinylogous halideketoneorganic oxideorganic oxygen compoundhaloalkenealiphatic homomonocyclic compoundhydrocarbon derivativevinyl chlorideorganooxygen compound |
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