| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:08 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12FNO3S |
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| Molecular Mass | 317.0522 |
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| SMILES | O=S(=O)(O)c1cccc2cccc(Nc3cccc(F)c3)c12 |
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| InChI Key | HXXJAXUWCJTOJK-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsaryl fluoridesarylsulfonic acids and derivativesfluorobenzeneshydrocarbon derivativesorganic oxidesorganofluoridesorganopnictogen compoundsorganosulfonic acidssecondary aminessulfonyls |
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| Substituents | aryl fluorideorganosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidorganosulfur compoundorganohalogen compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonatefluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compound1-sulfo,2-unsubstituted aromatic compoundorganofluoridearomatic homopolycyclic compoundsecondary aminearyl halidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamine |
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