| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:53 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189657 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H29FN2O7 |
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| Molecular Mass | 560.1959 |
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| SMILES | CC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC(O)(CC(=O)O)C(=O)O |
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| InChI Key | BGHKRVCRIGSABK-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl fluoridesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssubstituted pyrrolestertiary alcohols |
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| Substituents | aryl fluoridecarboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidaryl halidetertiary alcoholorganic oxygen compoundpyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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