| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:00 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O3S |
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| Molecular Mass | 198.0351 |
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| SMILES | O=C(O)c1ccc(C(O)CS)cc1 |
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| InChI Key | UUJXOEFQTBAYSC-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylthiolsaromatic alcoholsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzoic acidalkylthiolorganooxygen compound |
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