| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:26 UTC |
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| Update Date | 2025-03-21 18:35:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104078 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C29H35FN2O5 |
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| Molecular Mass | 510.253 |
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| SMILES | CCNC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CCC(O)CC(O)CC(=O)O)c1C(C)C |
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| InChI Key | LYYAPIVRUPFVFE-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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