| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:24 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O2 |
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| Molecular Mass | 223.1321 |
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| SMILES | NCC(O)C(Cc1ccccc1)NC(N)=O |
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| InChI Key | HKFSSAPPQYVWJN-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 homomonocyclic compounds |
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| Alternative Parents | amphetamines and derivativescarbonyl compoundshydrocarbon derivativesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarbonic acid derivativearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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