| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:17 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O4S2 |
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| Molecular Mass | 243.9864 |
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| SMILES | O=C(O)CSSc1ccccc1C(=O)O |
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| InChI Key | XHKBAJMMXNSRRB-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 derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic disulfidesorganic oxidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundo-sulfanylbenzoic acidorganic disulfidedicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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