| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:22 UTC |
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| Update Date | 2025-03-25 00:55:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213768 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H23FN2O4 |
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| Molecular Mass | 410.1642 |
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| SMILES | CNC(=O)c1cn(CCC(O)CC(=O)O)c(-c2ccc(F)cc2)c1-c1ccccc1 |
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| InChI Key | XPOMDJGIMZXEDA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundalcoholvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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