Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:17 UTC |
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Update Date | 2025-03-21 18:35:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103671 |
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Frequency | 26.2 |
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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 | CSc1cccc(C(=O)O)c1O |
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InChI Key | TZRMFKCHBWZNIF-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-4-unsubstituted benzenoidsalkylarylthioethersbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acidssulfenyl compoundsthiophenol ethersthiophenolsvinylogous acids |
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Substituents | carboxylic acidbenzoylsalicylic acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidsulfenyl compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesthioetherphenolhydrocarbon derivativeorganooxygen compound |
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