| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:35 UTC |
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| Update Date | 2025-03-21 18:39:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126065 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C27H33N3O4S |
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| Molecular Mass | 495.2192 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | FXSQQAIGZQGEAA-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 | amino acids and derivativesaminosulfonyl compoundsamphetamines and derivativesbenzamidesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesamino acid or derivativesbenzoylorganosulfur compoundcarboxylic acid derivativebenzamideorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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