| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:22 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3S |
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| Molecular Mass | 275.0616 |
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| SMILES | O=C(C=Cc1ccccc1)C1=NC(C(=O)O)CSC1 |
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| InChI Key | KOKMESGAYHHSDM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha,beta-unsaturated ketonesazacyclic compoundsbenzene and substituted derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundiminealpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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