| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:25 UTC |
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| Update Date | 2025-03-21 18:04:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049157 |
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| Frequency | 67.2 |
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| Structure | |
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| Chemical Formula | C8H8O3S |
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| Molecular Mass | 184.0194 |
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| SMILES | CSc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | DATDARDTUZHWMK-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 | m-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 benzenoidsalkylarylthioethersbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acidssulfenyl compoundsthiophenol ethersthiophenolsvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidsulfenyl compoundhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesthioetherphenolhydrocarbon derivativeorganooxygen compound |
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