| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:50 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28N4O6S |
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| Molecular Mass | 464.173 |
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| SMILES | NCCC(=O)NC(Cc1ccccc1)C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | JHDLJYSLJGDFGS-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 | alpha amino acidsamino acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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