| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:31 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2S |
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| Molecular Mass | 195.0354 |
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| SMILES | Oc1ccc(O)c(CCN=C=S)c1 |
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| InChI Key | XSTSGWJGPIZZGI-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | hydroquinones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isothiocyanatemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundhydroquinonearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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