| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:33 UTC |
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| Update Date | 2025-03-21 18:33:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096955 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C22H31N3O5S |
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| Molecular Mass | 449.1984 |
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| SMILES | CC(=O)NC(Cc1ccc(O)cc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | WMADHVXDBYZMBQ-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 benzenoidsacetamidesamino acids and derivativesaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundacetamideamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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