| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H26FNO6 |
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| Molecular Mass | 467.1744 |
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| SMILES | CC(C)c1c(C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)C(=O)CC(=O)O |
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| InChI Key | IRSMDDHZWLBLTL-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-carboxy-2-haloaromatic compoundsacyloinsalpha-hydroxy ketonesaryl fluoridesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativesdicarboxylic acids and derivativesfatty acylsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylbeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidmonosaccharidesubstituted pyrrolealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundbeta-keto acidketonefluorobenzenesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acid1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compoundacyloinpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compoundmedium-chain keto acid |
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