| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:59 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H33FN2O8 |
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| Molecular Mass | 604.2221 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)C(O)(CC(=O)O)C(=O)O |
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| InChI Key | GJMCXHDXBQYNTD-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolestertiary alcoholsvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesmonosaccharidesubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundbranched fatty acidaryl halidesecondary carboxylic acid amidepyrroledicarboxylic acid or derivativesphenolhydrocarbon derivativehalobenzenearyl fluoridefatty acylcarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridehydroxy acidcarboxamide grouptertiary alcoholorganic oxygen compoundsecondary alcoholorganic nitrogen compoundorganooxygen compound |
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