| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:53 UTC |
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| Update Date | 2025-03-21 18:04:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052522 |
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| Frequency | 61.9 |
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| Structure | |
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| Chemical Formula | C7H7NO3S |
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| Molecular Mass | 185.0147 |
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| SMILES | NS(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | XZEQVDFSELGSML-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfinyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundssulfinic acid amides |
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| Substituents | carboxylic acidsulfinic acid derivativebenzoylsulfinic acid amideorganosulfur compoundcarboxylic acid derivativep-sulfanylbenzoic acidaromatic homomonocyclic compoundaminosulfinyl compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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