| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:09 UTC |
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| Update Date | 2025-03-21 18:37:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115554 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C33H35FN2O9S |
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| Molecular Mass | 654.2047 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(OS(=O)(=O)O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | CHRUDAVKACYNDL-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatespyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolessulfated fatty acidssulfuric acid monoestersvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativessubstituted pyrrolemedium-chain hydroxy acidphenylsulfatebeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundaryl halidesecondary carboxylic acid amidepyrrolehydrocarbon derivativehalobenzenephenoxy compoundaryl fluoridefatty acylsulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidarylsulfatehalogenated fatty acidorganic sulfuric acid or derivativesorganofluoridehydroxy acidcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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