| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:20 UTC |
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| Update Date | 2025-03-21 18:28:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070119 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C31H29FN2O8 |
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| Molecular Mass | 576.1908 |
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| SMILES | O=C(O)CC(O)CC(O)CCn1c(C(=O)O)c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c1-c1ccc(F)cc1 |
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| InChI Key | ZQUPEUWYPOXLBS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | aryl fluoridefatty acylcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidfluorobenzeneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaryl halideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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