| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:08 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H34N2O10S2 |
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| Molecular Mass | 586.1655 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | ONOXTZOSORGEKY-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 derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganosulfonic acid amidephenylsulfateorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideorganic sulfuric acid or derivativesaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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