| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:59 UTC |
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| Update Date | 2025-03-21 18:41:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136306 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C25H24FNO8 |
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| Molecular Mass | 485.1486 |
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| SMILES | O=C(O)CC(O)CC(O)CCn1c(C(=O)O)c(C(=O)O)c(-c2ccccc2)c1-c1ccc(F)cc1 |
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| InChI Key | ZZGIXUJGLDDFKE-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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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 compoundsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativestricarboxylic acid or derivativessubstituted pyrroleorganohalogen compoundbeta-hydroxy acidfluorobenzeneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidaryl halideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compound |
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