| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:55 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O7S |
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| Molecular Mass | 371.0787 |
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| SMILES | NC(=O)CCC1NC(=O)C(Cc2cccc(OS(=O)(=O)O)c2)NC1=O |
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| InChI Key | HPJMLFKOQZIHGR-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl grouplactamaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativephenylsulfateorganic oxidedioxopiperazinepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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