| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:15 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218103 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16Cl2IN |
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| Molecular Mass | 430.9705 |
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| SMILES | CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(I)cc21 |
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| InChI Key | HCMBQMCRMZJGGS-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 | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl chloridesaryl iodidesdialkylaminesdichlorobenzeneshydrocarbon derivativesorganochloridesorganoiodidesorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenesecondary aliphatic aminemonocyclic benzene moietyorganochloridearomatic homopolycyclic compoundsecondary amineorganohalogen compoundorganoiodidearyl halidetametralineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1,2-dichlorobenzenearyl iodideorganic nitrogen compoundhalobenzeneamine |
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