| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 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 | DMID02167706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H38FN3O7 |
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| Molecular Mass | 631.2694 |
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| SMILES | CC(C)c1c(C(=O)NCC(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | XEFMOJBWGCMMCR-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 | n-acyl-alpha amino acids |
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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 acid amidesalpha amino acidsanilidesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganofluoridesorganopnictogen 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 amidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundaryl halidesecondary carboxylic acid amidepyrrolephenolhydrocarbon derivativehalobenzenearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidn-arylamideorganohalogen compoundfluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridehydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupanilidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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