| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:09 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10F3NO5S |
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| Molecular Mass | 301.0232 |
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| SMILES | NCC(O)c1ccc(OS(=O)(=O)C(F)(F)F)c(O)c1 |
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| InChI Key | FCGLFGARJBVOHD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl fluoridesaromatic alcoholshydrocarbon derivativesmethanesulfonatesmonoalkylaminesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid esterssecondary alcoholssulfonic acid esterssulfonylstrifluoromethanesulfonatestrihalomethanes |
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| Substituents | aromatic alcoholorganosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundsulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidealcoholhalomethanetrihalomethanealkyl fluorideorganofluoride1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundtrifluoromethanesulfonate |
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