| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:14 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C(O)CCc1scc(C(=O)O)c1C(=O)O |
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| InChI Key | KZFFIZPCXUNLEC-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 | 1-carboxy-2-haloaromatic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesthiophene carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundthiophene carboxylic acidheteroaromatic compoundtricarboxylic acid or derivativesthiophenethiophene carboxylic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundorganooxygen compound |
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