| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:24 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3S |
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| Molecular Mass | 172.0194 |
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| SMILES | COc1cc(CC(=O)O)cs1 |
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| InChI Key | LNNCZGPHNHQYLZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundthiophenealkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compound |
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