| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:20 UTC |
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| Update Date | 2025-03-21 17:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011622 |
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| Frequency | 396.7 |
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| Structure | |
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| Chemical Formula | C6H6O3S |
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| Molecular Mass | 158.0038 |
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| SMILES | CSc1ccc(C(=O)O)o1 |
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| InChI Key | PNYVTYSSGKJUSE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioetherscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | carboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherfuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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