| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:12 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151587 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O4S |
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| Molecular Mass | 270.0926 |
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| SMILES | Cc1sc(CCCC(=O)O)c(C)c1CCC(=O)O |
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| InChI Key | WYLBCDDOBXBVPT-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundthiopheneorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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