| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:52 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045445 |
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| Frequency | 74.1 |
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| Structure | |
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| Chemical Formula | C18H17Cl2NO |
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| Molecular Mass | 333.0687 |
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| SMILES | CC(=O)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
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| InChI Key | YIQKGDBXOASLSF-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 | acetamidesaryl chloridescarbonyl compoundscarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzeneacetamidearyl chloridechlorobenzenearomatic homopolycyclic compoundcarboxamide grouparyl halidetametralinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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