| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:37 UTC |
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| Update Date | 2025-03-21 18:05:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058901 |
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| Frequency | 53.5 |
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| Structure | |
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| Chemical Formula | C17H18ClNO |
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| Molecular Mass | 287.1077 |
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| SMILES | NCCCC1(c2ccc(Cl)cc2)OCc2ccccc21 |
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| InChI Key | RBDFYACSJLJFMU-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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