| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:51 UTC |
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| Update Date | 2025-03-21 18:31:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085746 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C30H35FN2O7 |
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| Molecular Mass | 554.2428 |
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| SMILES | CC(C)c1c(C(=O)NCCC(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | SQSXBITVKJODMS-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 | beta amino 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 acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy 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 pyrroleorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidcarboxamide groupbeta amino acid or derivativesaryl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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