| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:00 UTC |
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| Update Date | 2025-03-21 18:37:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115213 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C25H26FNO5 |
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| Molecular Mass | 439.1795 |
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| SMILES | CC(C)c1c(C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O |
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| InChI Key | NVILLGSBTZJYNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidaryl halideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compound |
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