| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:49 UTC |
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| Update Date | 2025-03-21 18:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107489 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C31H35FN2O9 |
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| Molecular Mass | 598.2327 |
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| SMILES | CC(C)c1c(C(=O)NC(CC(=O)O)C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | FVPCNYHLAQEVNQ-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzenesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativestricarboxylic acid or derivativessubstituted pyrroleorganohalogen compoundbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidorganofluorideheteroaromatic compoundhydroxy acidcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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