| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:08 UTC |
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| Update Date | 2025-03-21 18:38:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122661 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C18H16F3N3O4S |
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| Molecular Mass | 427.0814 |
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| SMILES | COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c(OC)c1 |
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| InChI Key | MIRRPFHXAFVEDU-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 | alkyl aryl ethersalkyl fluoridesaminosulfonyl compoundsanisolesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsdimethoxybenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherorganosulfur compoundorganohalogen compoundorganosulfonic acid amidedimethoxybenzenephenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidebenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzenesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesm-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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