| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:47 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9F3N2O2 |
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| Molecular Mass | 270.0616 |
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| SMILES | Cc1ccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)cc1 |
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| InChI Key | ZDROWVOQDCTXKM-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundphenylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidevinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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