| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:33 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O5S |
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| Molecular Mass | 230.0249 |
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| SMILES | Cc1ccc(SC(CC(=O)O)C(=O)O)o1 |
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| InChI Key | HPGIQZJTKLKGTI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioetherscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundalkylarylthioethercarboxylic acid derivativearyl thioetheroxacycleorganic oxidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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