| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:18 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27N3O4 |
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| Molecular Mass | 397.2002 |
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| SMILES | COc1cc(CNC(=O)C2CCCN2C(=O)C(N)Cc2ccccc2)ccc1O |
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| InChI Key | FGGVYKNEYHZJHY-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid amidesalpha amino acidsamphetamines and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundn-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativesalpha-amino acid amideazacyclecarboxamide groupmethoxybenzenealpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamidephenoxy compoundorganooxygen compound |
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