| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:57 UTC |
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| Update Date | 2025-03-21 18:07:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069252 |
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| Frequency | 43.6 |
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| Structure | |
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| Chemical Formula | C20H29N3O4S |
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| Molecular Mass | 407.1879 |
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| SMILES | CC(C)CN(CC(O)C(N)Cc1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | YIYVCKLBARJEDB-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alcohols |
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| Substituents | organosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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