| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:12 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067413 |
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| Frequency | 80.9 |
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| Structure | |
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| Chemical Formula | C34H37FN2O6 |
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| Molecular Mass | 588.2636 |
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| SMILES | COc1ccccc1NC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CCC(O)CC(O)CC(=O)O)c1C(C)C |
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| InChI Key | TVJMAKFBHDMOFD-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 | alkyl aryl ethersanisolesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | phenol ethercarboxylic acidpyrrole-3-carboxylic acid or derivativessubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundmethoxybenzenearyl halidesecondary carboxylic acid amideanisolepyrrolehydrocarbon derivativehalobenzenephenoxy compoundaryl fluoridefatty acylcarbonyl groupetheraromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaromatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridehydroxy acidcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganic nitrogen compoundorganooxygen compound |
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