| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:38 UTC |
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| Update Date | 2025-03-21 18:03:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042449 |
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| Frequency | 80.5 |
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| Structure | |
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| Chemical Formula | C33H34FNO5 |
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| Molecular Mass | 543.2421 |
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| SMILES | CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | RHYZIJMRTYNJHW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesaryl ketonesazacyclic compoundsbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidbenzoylfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluoridearyl-phenylketoneheteroaromatic compoundhydroxy acidaryl halidemonocarboxylic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzene |
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