| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:03 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N2O4S |
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| Molecular Mass | 266.0361 |
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| SMILES | Nc1c(O)cccc1C(=O)C1N=C(C(=O)O)CS1 |
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| InChI Key | JBYKWABJHOHETB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundsthiazolinesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietycarboxylic acidaryl alkyl ketonemeta-thiazolinearomatic heteromonocyclic compoundamino acid or derivativesamino acidiminebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycledialkylthioetherorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesthioetherphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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