| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:01 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O3S |
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| Molecular Mass | 234.0351 |
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| SMILES | O=C(O)c1ccccc1CSc1ccco1 |
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| InChI Key | JNGXEQKCJJFJOZ-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersbenzoyl derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundorganooxygen compound |
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