Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:40:19 UTC |
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Update Date | 2025-03-25 00:46:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02156528 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C28H25FN2O4 |
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Molecular Mass | 472.1798 |
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SMILES | Cc1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCC(=O)O |
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InChI Key | JBPQRSWJESKSLZ-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 benzenoidsaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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Substituents | aryl fluoridecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivatives1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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