| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:46 UTC |
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| Update Date | 2025-03-21 18:05:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054519 |
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| Frequency | 59.0 |
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| Structure | |
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| Chemical Formula | C26H36N2O7S |
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| Molecular Mass | 520.2243 |
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| SMILES | COc1ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1 |
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| InChI Key | ZQCWCMLUKDMZGT-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsamphetamines and derivativesanisolesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl etherorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid estermethoxybenzeneoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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