| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7F3N2O |
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| Molecular Mass | 192.051 |
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| SMILES | Cn1cc(C(N)=O)cc1C(F)(F)F |
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| InChI Key | CYKFHNNMWMJIAQ-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 carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amiden-methylpyrrolearomatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundalkyl halidevinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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