| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:25 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051458 |
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| Frequency | 63.5 |
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| Structure | |
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| Chemical Formula | C23H34N4O4S |
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| Molecular Mass | 462.2301 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)CCN)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | DULOFUMLHVUTBA-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 | aminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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