| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:53 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189666 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H34FN3O8 |
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| Molecular Mass | 619.233 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | JOKBERYFBPLMBI-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 benzenoidsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativessubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidc-nitro compoundorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compoundnitrobenzenenitroaromatic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundaryl halidesecondary carboxylic acid amidepyrrolephenolhydrocarbon derivativehalobenzeneorganic hyponitritearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidorganic oxoazaniumhalogenated fatty acidorganofluoridehydroxy acidcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganic nitrogen compoundorganooxygen compound |
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