| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:18 UTC |
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| Update Date | 2025-03-21 18:30:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082109 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C7H6O3S |
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| Molecular Mass | 170.0038 |
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| SMILES | O=C(O)C(=O)Cc1cccs1 |
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| InChI Key | DFEKJNVSDUKUIR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundthiophenealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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