| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:08 UTC |
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| Update Date | 2025-03-21 18:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031665 |
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| Frequency | 116.1 |
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| Structure | |
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| Chemical Formula | C18H17BrN2O |
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| Molecular Mass | 356.0524 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1ccc(Br)cc1 |
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| InChI Key | VGGILEDAVNGWGW-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 bromidesbromobenzenesdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganobromidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitrileorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundbromobenzenearyl halideoxacycleorganic oxygen compoundorganobromidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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