| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:22 UTC |
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| Update Date | 2025-03-21 18:40:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130332 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C8H8O5S |
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| Molecular Mass | 216.0092 |
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| SMILES | O=C(O)c1csc(CCO)c1C(=O)O |
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| InChI Key | OIWHFMREFOADBT-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 | thiophene carboxylic acids and derivatives |
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| Direct Parent | thiophene carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalcohols and polyolsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholcarboxylic acidaromatic heteromonocyclic compoundthiophene carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
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