| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105647 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C31H33FN2O4 |
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| Molecular Mass | 516.2424 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)C(O)CO |
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| InChI Key | ODKCCAROPMAXEN-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundscarboxylic acids and derivativesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridearomatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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