| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:18 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O6S |
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| Molecular Mass | 314.0824 |
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| SMILES | Cc1c(CC(=O)O)sc(CCCC(=O)O)c1CCC(=O)O |
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| InChI Key | QLTVHKDJBTVFLA-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic 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 compoundtricarboxylic acid or derivativesthiopheneorganic oxideorganic oxygen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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