| 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 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16FN3O |
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| Molecular Mass | 309.1277 |
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| SMILES | Cn1c(N)c(C(N)=O)c(-c2ccccc2)c1-c1ccc(F)cc1 |
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| InChI Key | GFTXBTDDYTZICG-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 | amino acids and derivativesaryl fluoridesazacyclic compoundscarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluorideprimary carboxylic acid amidemonocyclic benzene moietyn-methylpyrrolearomatic heteromonocyclic compoundamino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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