| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H25FN2O4 |
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| Molecular Mass | 436.1798 |
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| SMILES | Cc1ccc(-c2c(C#N)cc(-c3ccc(F)cc3)n2CCC(O)CC(O)CC(=O)O)cc1 |
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| InChI Key | BZSRNHMWTDSRMU-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 | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolestoluenes |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupnitrilecarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidcarbonitrileorganoheterocyclic compoundalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetolueneorganooxygen compound |
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