| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:36 UTC |
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| Update Date | 2025-03-21 18:30:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082827 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C21H21N3O |
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| Molecular Mass | 331.1685 |
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| SMILES | CN(C)CCCC1(c2ccc(C#N)cc2)OCc2cc(C#N)ccc21 |
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| InChI Key | MDJAIQQRVAZJSZ-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 | benzonitrilesdialkyl ethershydrocarbon derivativesisocoumaransnitrilesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | ethernitriletertiary aliphatic aminedialkyl etherbenzonitrileoxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminecarbonitriletertiary amineorganoheterocyclic compoundorganooxygen compound |
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