| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:16 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | O=C1N(c2ccc(O)cc2)CCS1(=O)=O |
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| InChI Key | QOQXZLQJUVYUCD-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthiazolidinesthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativearomatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundsulfonethiazolidine |
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