| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:08 UTC |
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| Update Date | 2025-03-21 17:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011149 |
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| Frequency | 416.7 |
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| Structure | |
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| Chemical Formula | C20H21ClN2O |
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| Molecular Mass | 340.1342 |
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| SMILES | CN(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21 |
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| InChI Key | HYIJPACNNYCMRP-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 derivativesisocoumaransnitrilesorganochloridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | ethernitrileorganochlorideorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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