| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H4FNO3 |
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| Molecular Mass | 181.0175 |
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| SMILES | N#Cc1c(F)ccc(C(=O)O)c1O |
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| InChI Key | CPURGUFINGINGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoids4-halobenzoic acidsaryl fluoridesbenzoic acidsbenzonitrilesbenzoyl derivativesfluorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-fluorophenolsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | aryl fluoridenitrilecarboxylic acidbenzoylsalicylic acidcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrile3-halophenolhalobenzoic acid4-halobenzoic acidorganofluoridehalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoid3-fluorophenolbenzonitrilearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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