| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:45 UTC |
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| Update Date | 2025-03-21 18:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033124 |
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| Frequency | 109.8 |
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| Structure | |
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| Chemical Formula | C20H28N2O5S |
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| Molecular Mass | 408.1719 |
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| SMILES | CC(C)CN(CC(O)C(O)Cc1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | CIXAEDFXKUPWIK-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compound1,2-diolbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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