| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:36 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H28FNO4 |
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| Molecular Mass | 461.2002 |
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| SMILES | Cc1ccc(-c2c(-c3ccc(F)cc3)n(CCC(O)CC(O)CC(=O)O)c3ccccc23)cc1 |
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| InChI Key | QIACRQUMLUVHDM-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 | indoles and derivatives |
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| Subclass | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrrolestoluenes |
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| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupn-alkylindolecarboxylic acidheterocyclic fatty acidindolefatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundhydroxy acidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetolueneorganooxygen compound |
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