| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:54 UTC |
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| Update Date | 2025-03-25 01:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H34F3N3O5 |
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| Molecular Mass | 609.2451 |
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| SMILES | CC(C)c1c(C(=O)Nc2cccnc2)c(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | HZZUFVLCCPLSJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | trifluoromethylbenzenes |
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| Direct Parent | trifluoromethylbenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundalkyl halidemedium-chain fatty acidhydroxy fatty acidtrifluoromethylbenzeneorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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