| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197843 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO4S |
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| Molecular Mass | 277.0409 |
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| SMILES | O=S1(=O)NC(O)(c2ccc(O)cc2)c2ccccc21 |
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| InChI Key | IZLJVPSHXVQPKK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkanolaminesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyazacycle1-hydroxy-2-unsubstituted benzenoid1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkanolamine |
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