| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:10 UTC |
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| Update Date | 2025-03-21 18:05:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060191 |
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| Frequency | 52.1 |
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| Structure | |
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| Chemical Formula | C15H22N2O4 |
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| Molecular Mass | 294.158 |
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| SMILES | NCC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1 |
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| InChI Key | JOOXCQQQNZEYGV-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 heteromonocyclic compounds |
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| Alternative Parents | amphetamines and derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethercarbonic acid derivativearomatic heteromonocyclic compoundtetrahydrofurancarbamic acid esterdialkyl etheroxacycleorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamphetamine or derivatives |
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