| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208394 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H34ClFN2O7 |
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| Molecular Mass | 624.2039 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccc(O)c(Cl)c2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | CCUFJPOVLYKPAJ-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 benzenoidsaryl chloridesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesfluorobenzeneshalogenated fatty acidshalophenolsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesorganochloridesubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenealcoholvinylogous amideazacycleheteroaromatic compoundaryl halidesecondary carboxylic acid amidepyrrolephenolhydrocarbon derivativehalobenzenearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridehydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide group2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganic nitrogen compoundorganooxygen compound |
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