| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:13 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227090 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H33FN2O7 |
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| Molecular Mass | 588.2272 |
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| SMILES | CC(C)c1c(C(O)=Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)C(O)C(=O)O |
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| InChI Key | QJGMKCRBGCNBBH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesaryl fluoridesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboximidic acidscarboxylic acidsfatty acylsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | beta-hydroxy ketonecarboximidic acidmonocyclic benzene moietycarboxylic acidmonosaccharidesubstituted pyrrolealpha-hydroxy ketoneketonesaccharideorganonitrogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compoundaryl halidepyrrolephenolhydrocarbon derivative1,3-dicarbonyl compoundhalobenzenemedium-chain keto acidaryl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidpropargyl-type 1,3-dipolar organic compoundfluorobenzeneorganic oxideorganopnictogen compoundhalogenated fatty acidorganofluoridehydroxy acid1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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