| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO2S |
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| Molecular Mass | 245.051 |
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| SMILES | O=C(O)c1ccccc1CSc1ccccn1 |
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| InChI Key | PNHWUGPIUDBHHQ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalkylarylthioethersazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinebenzoic acidorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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