| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:35 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO2S |
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| Molecular Mass | 157.0197 |
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| SMILES | CC(O)C(=O)c1nccs1 |
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| InChI Key | ZALSMFQDWKNWOZ-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 | azoles |
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| Subclass | thiazoles |
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| Direct Parent | thiazolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundthiazolecarboxylic acid or derivativesketoneorganic oxideorganic oxygen compoundacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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