| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:54 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H17F2NO4 |
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| Molecular Mass | 385.1126 |
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| SMILES | CC(Cn1c(C(=O)O)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1)C(=O)O |
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| InChI Key | VHSHGAGTLQBURI-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 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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