| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:43 UTC |
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| Update Date | 2025-03-25 00:54:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O3 |
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| Molecular Mass | 289.1426 |
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| SMILES | NC1C(=O)N2CCCC2C(=O)NC1Cc1ccc(O)cc1 |
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| InChI Key | LMQNDNWPYCHXAM-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 | cyclic peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepanes1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdipeptideshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactam1,4-diazepane1-hydroxy-2-unsubstituted benzenoiddiazepanealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclecarboxamide groupbeta amino acid or derivativesalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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