| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:22 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO3S |
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| Molecular Mass | 161.0147 |
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| SMILES | CS(=O)(=O)Oc1ccc[nH]1 |
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| InChI Key | IVXWECJHYTYGFV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | sulfonic acid esters |
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| Direct Parent | sulfonic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethanesulfonatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundorganosulfonic acid estersulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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