| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:21 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24N4O3 |
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| Molecular Mass | 392.1848 |
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| SMILES | NC1CC(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
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| InChI Key | MCDLGGUZUNORBO-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-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdipeptidesheteroaromatic compoundshydrocarbon derivativesindoleslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptidepyrrolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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