| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:05 UTC |
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| Update Date | 2025-03-21 17:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024508 |
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| Frequency | 158.9 |
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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)c1ccccc1S(=O)O |
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| InChI Key | KRSZKHITONYRDD-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 compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | carboxylic acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativesulfinic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-sulfanylbenzoic acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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