| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H29FN2O6 |
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| Molecular Mass | 532.201 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)C(=O)O |
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| InChI Key | KUFDIYAKUISAOT-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidesresorcinolssecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidesubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundresorcinolaromatic anilidefluorobenzenesaccharideorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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