| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H24FNO3 |
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| Molecular Mass | 429.174 |
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| SMILES | CC(C)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(-c2ccc(O)cc2)c1CC(=O)O |
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| InChI Key | ASNLDRNBECYWDE-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 | halobenzenes |
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| Direct Parent | fluorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aryl fluoridecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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