| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135300 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C34H35FN2O8 |
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| Molecular Mass | 618.2377 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)c(C(=O)O)c2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | AFEBGESCUPJACR-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsaryl fluoridesazacyclic compoundsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessalicylic acidssecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous acidsvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesbenzoylsubstituted pyrrolesalicylic acidmedium-chain hydroxy acidbeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acid1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundaryl halidehydroxybenzoic acidsecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativespyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativehalobenzenearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidbenzoic acidhalogenated fatty acidorganofluoridebenzoic acid or derivativeshydroxy acidcarboxamide grouporganic oxygen compoundsecondary alcoholorganic nitrogen compoundorganooxygen compound |
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