| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:15 UTC |
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| Update Date | 2025-03-21 18:28:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072352 |
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| Frequency | 41.3 |
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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 | O=C(O)C(O)Cc1cccs1 |
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| InChI Key | FZHYPTLICUTGMO-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 | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthiophenes |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidheteroaromatic compoundthiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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