| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:34 UTC |
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| Update Date | 2025-03-21 18:33:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096975 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C33H33FN2O6 |
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| Molecular Mass | 572.2323 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CCC(=O)C(=O)O |
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| InChI Key | PUWSAYFYGDCVFI-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl fluoridesazacyclic compoundscarboxylic acidsfatty acylsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketonearomatic anilidefluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamidealpha-keto acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundmedium-chain keto acid |
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