| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H17F2NO4 |
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| Molecular Mass | 385.1126 |
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| SMILES | O=C(O)CCc1c(CC(=O)O)[nH]c(-c2ccc(F)cc2)c1-c1ccc(F)cc1 |
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| InChI Key | GIKVJSGAIJAIBH-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 | aryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aryl fluoridecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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