| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:04 UTC |
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| Update Date | 2025-03-21 18:03:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045902 |
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| Frequency | 73.2 |
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| Structure | |
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| Chemical Formula | C7H8O3S |
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| Molecular Mass | 172.0194 |
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| SMILES | O=C(O)c1ccsc1CCO |
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| InChI Key | IBZHGDTXKADNPK-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 | alcohols and polyolscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholcarboxylic acidaromatic heteromonocyclic compoundthiophene carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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