| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:42 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O3 |
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| Molecular Mass | 260.1161 |
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| SMILES | COc1ccc2c3c1OC1NC(=O)C(C2)N(C)C1C3 |
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| InChI Key | NMPDTUHTRCNYBT-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundsazepinesbenzazepinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-methylpiperazinesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethercarbonyl groupetherlactam1-benzopyranalkyl aryl etherorganic oxidepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromanetertiary amineorganoheterocyclic compoundbenzopyranalpha-amino acid amideazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundazepineanisole1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineamineorganooxygen compound |
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