| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:02 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098149 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C23H23FN2O6 |
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| Molecular Mass | 442.154 |
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| SMILES | O=C(O)CC(O)CC(O)CCn1nc(C(=O)O)c(-c2ccccc2)c1-c1ccc(F)cc1 |
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| InChI Key | NWKXSRVFJDOJIS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | phenylpyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidphenylpyrazolebeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundhydroxy acidaryl halideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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