| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:43 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H33FN2O5 |
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| Molecular Mass | 544.2374 |
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| SMILES | Cc1ccc(-c2c(-c3ccc(F)cc3)c(C(=O)Nc3ccc(O)cc3)c(C(C)C)n2CCC(O)CC(=O)O)cc1 |
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| InChI Key | KPSBSCLFAQEAOH-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolestoluenesvinylogous 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 anilidebeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzenetolueneorganooxygen compound |
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