| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:19 UTC |
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| Update Date | 2025-03-21 17:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013883 |
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| Frequency | 320.0 |
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| Structure | |
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| Chemical Formula | C18H17ClN2O |
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| Molecular Mass | 312.1029 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1ccc(Cl)cc1 |
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| InChI Key | VWLLOQFYAPCTPG-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 derivativesisocoumaransmonoalkylaminesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitrileorganochlorideorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundaryl chloridechlorobenzenearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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