| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:46 UTC |
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| Update Date | 2025-03-21 18:34:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102414 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C17H17Cl2NO |
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| Molecular Mass | 321.0687 |
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| SMILES | NCCCC1(c2ccc(Cl)cc2)OCc2cc(Cl)ccc21 |
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| InChI Key | ZTAROZDKKCVTJX-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzenesdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl chloridechlorobenzeneetherorganochlorideorganohalogen compounddialkyl etheraryl halideoxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganoheterocyclic compoundorganooxygen compound |
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