| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:19 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6O4S |
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| Molecular Mass | 185.9987 |
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| SMILES | O=C(O)c1c(O)ccc(O)c1S |
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| InChI Key | YTOZKJCLCKIXTB-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 | o-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acidsthiolsthiophenolsvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidethiophenolo-sulfanylbenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidarylthiolhydroxybenzoic acidhydroquinonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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