| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:31 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H3F3O5S |
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| Molecular Mass | 243.9653 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)o1 |
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| InChI Key | WBXAKKHTINMUOG-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsoxacyclic compoundssulfonestrihalomethanes |
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| Substituents | halomethanetrihalomethanecarboxylic acidaromatic heteromonocyclic compoundalkyl fluorideorganofluorideheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundfuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compoundsulfone |
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