| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:22 UTC |
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| Update Date | 2025-03-21 18:28:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075008 |
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| Frequency | 39.5 |
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| Structure | |
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| Chemical Formula | C19H20N2O |
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| Molecular Mass | 292.1576 |
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| SMILES | Cc1ccc(C2(CCCN)OCc3cc(C#N)ccc32)cc1 |
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| InChI Key | QZSNEOUSBRZNCD-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 | dialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstoluenes |
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| Substituents | ethernitriledialkyl etheroxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundtoluenecarbonitrileorganoheterocyclic compoundorganooxygen compound |
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