| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16FNO6 |
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| Molecular Mass | 337.0962 |
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| SMILES | O=C(O)c1ccn(C2OC(CO)C(O)C2O)c1-c1ccc(F)cc1 |
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| InChI Key | BKJLSLFQZNJPJY-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 carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundmonosaccharidesubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundfluorobenzenesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranorganofluorideheteroaromatic compoundaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compound |
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