| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:58 UTC |
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| Update Date | 2025-03-25 00:49:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H40FNO6 |
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| Molecular Mass | 553.284 |
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| SMILES | CC(C)c1c(C(=O)OCC(C)(C)C)c(-c2ccc(F)cc2)c(-c2ccccc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | YVLNLCRVTDXRJY-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundbranched fatty acidaryl halideorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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