| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135291 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C32H31FN2O6 |
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| Molecular Mass | 558.2166 |
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| SMILES | CC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)C(=O)CC(=O)O |
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| InChI Key | WCWXTFLCXYXKGR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacyloinsalpha-hydroxy ketonesaryl fluoridesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboximidic acidscarboxylic acidsfatty acylsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aryl fluoridefatty acylbeta-hydroxy ketonecarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidesubstituted pyrrolealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundbeta-keto acidpropargyl-type 1,3-dipolar organic compoundketonefluorobenzenesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinpyrrolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundmedium-chain keto acid |
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