| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:46 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063967 |
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| Frequency | 48.1 |
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| Structure | |
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| Chemical Formula | C18H16Cl2N2 |
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| Molecular Mass | 330.0691 |
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| SMILES | CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(C#N)cc21 |
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| InChI Key | CROGUKBPHFMYKB-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 chloridesdialkylaminesdichlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenesecondary aliphatic aminemonocyclic benzene moietynitrileorganochloridearomatic homopolycyclic compoundsecondary amineorganohalogen compoundaryl halidetametralineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1,2-dichlorobenzeneorganic nitrogen compoundhalobenzenecarbonitrileamine |
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