| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:22 UTC |
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| Update Date | 2025-03-21 18:28:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070237 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C31H29FN2O7 |
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| Molecular Mass | 560.1959 |
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| SMILES | O=C(O)CC(O)CC(O)CCn1c(C(=O)O)c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1-c1ccc(F)cc1 |
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| InChI Key | LMOVWJKOKMJYIM-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 | aryl 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 2-carboxylic acidspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidaromatic anilidebeta-hydroxy acidfluorobenzeneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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