| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:11 UTC |
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| Update Date | 2025-03-21 18:28:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072166 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C9H3Cl7O2 |
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| Molecular Mass | 387.7953 |
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| SMILES | ClC1=C(Cl)C2(Cl)C3C4OC4(Cl)OC3C1(Cl)C2(Cl)Cl |
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| InChI Key | NEYSAKXMGTVPRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dioxanes |
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| Subclass | 1,3-dioxanes |
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| Direct Parent | 1,3-dioxanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chlorideschloroalkenesepoxideshydrocarbon derivativesorganochloridesorganooxygen compoundsoxacyclic compoundstetrahydrofuransvinyl chlorides |
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| Substituents | tetrahydrofuranalkyl chloridechloroalkeneorganochlorideoxiraneorganohalogen compoundaliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundvinyl halidehaloalkenealkyl halidehydrocarbon derivativevinyl chloridemeta-dioxaneorganooxygen compound |
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