| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:37 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO3S |
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| Molecular Mass | 170.999 |
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| SMILES | O=C(O)CC(=O)c1cscn1 |
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| InChI Key | IPDPKYPBFLKYBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazoles |
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| Substituents | beta-hydroxy ketonecarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativebeta-keto acidorganic oxidemonocarboxylic acid or derivativesketo acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiazoleorganoheterocyclic compoundazole |
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