| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217437 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25N3O6 |
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| Molecular Mass | 427.1743 |
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| SMILES | COc1cc(CC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(N)CC2=O)ccc1O |
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| InChI Key | MASBKJXFAJZGNX-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarboxylic acids and derivativescyclic ketonesdipeptideshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealpha-amino acid or derivativesalkyl aryl etherketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupmethoxybenzenealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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