| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:48 UTC |
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| Update Date | 2025-03-25 00:52:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O2S |
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| Molecular Mass | 184.0558 |
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| SMILES | CCc1cc(C)c(CC(=O)O)s1 |
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| InChI Key | BUAQEWPXOBAMIU-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 | thiophenes |
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| Subclass | 2,3,5-trisubstituted thiophenes |
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| Direct Parent | 2,3,5-trisubstituted thiophenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | 2,3,5-trisubstituted thiophenecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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