| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:53 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O2S |
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| Molecular Mass | 222.0463 |
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| SMILES | Nc1ccc(C2N=C(C(=O)O)CS2)cc1 |
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| InChI Key | IYVXNDUWLCGPLN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compoundamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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