| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:40 UTC |
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| Update Date | 2025-03-21 18:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094805 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C16H12FN3O4S |
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| Molecular Mass | 361.0533 |
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| SMILES | NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1 |
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| InChI Key | XEWAXRCPHFULFT-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl fluoridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aryl fluorideorganosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amidephenylpyrazolefluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundorganofluorideheteroaromatic compoundaryl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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