| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:20 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H27N3O6S |
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| Molecular Mass | 449.1621 |
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| SMILES | CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1cccnc1 |
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| InChI Key | XIYQFBZOFVGNKF-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 | aminosulfonyl compoundsamphetamines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundspyridinesulfonamidessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylaminepyridine-3-sulfonamideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativeazacycleaminosulfonyl compoundtetrahydrofuranheteroaromatic compoundhydroxypyridinecarbamic acid estermethylpyridineoxacyclesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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