| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:49 UTC |
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| Update Date | 2025-03-21 18:40:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131411 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C16H21N3O6S2 |
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| Molecular Mass | 415.0872 |
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| SMILES | COc1cc(CC2NC(=O)C(N)CSSCC(C(=O)O)NC2=O)ccc1O |
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| InChI Key | GWWPGVGXBCVNPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic polymers |
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| Class | polypeptides |
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| Subclass | polypeptides |
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| Direct Parent | polypeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidscyclic peptideshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundpolypeptideazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptideanisoleorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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