| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:05 UTC |
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| Update Date | 2025-03-21 18:07:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067122 |
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| Frequency | 51.4 |
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| Structure | |
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| Chemical Formula | C33H36FN3O7S |
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| Molecular Mass | 637.2258 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | WLPVINILTBCGJX-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl fluoridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativessubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidorganonitrogen compoundpyrrole-3-carboxamidehydroxy fatty acidorganoheterocyclic compoundbenzenesulfonyl groupalcoholvinylogous amidebenzenesulfonamideazacycleheteroaromatic compoundaryl halidesecondary carboxylic acid amidepyrrolehydrocarbon derivativehalobenzenearyl fluoridefatty acylorganosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amidearomatic anilidefluorobenzeneorganic oxideorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidaminosulfonyl compoundorganofluoridehydroxy acidcarboxamide groupmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholorganic nitrogen compoundorganooxygen compound |
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