| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:27 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO2S |
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| Molecular Mass | 179.0041 |
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| SMILES | O=C(N=C=S)c1ccc(O)cc1 |
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| InChI Key | GOUAGFYQMFUHCI-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesisothiocyanate acidsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isothiocyanateisothiocyanate acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativesorganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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