| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249343 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O3 |
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| Molecular Mass | 264.1474 |
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| SMILES | COc1cc(CC(N)C(=O)N2CCCC2)ccc1O |
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| InChI Key | PAJOPVKSWYGDGO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineamphetamine or derivativesorganoheterocyclic compoundalpha-amino acid amideazacyclemethoxylated amphetaminecarboxamide groupmethoxybenzeneorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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