| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:18 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H33FN2O8 |
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| Molecular Mass | 556.2221 |
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| SMILES | CC(C)c1c(C(=O)NCC(=O)O)c(-c2ccccc2O)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | IRYSIXITQWZOQV-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidpyrrole-3-carboxylic acid or derivativessubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundn-acylglycinearyl halidesecondary carboxylic acid amidepyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativehalobenzenearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidorganohalogen compoundfluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridehydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouporganic oxygen compoundsecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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