| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:19 UTC |
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| Update Date | 2025-03-21 18:04:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048895 |
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| Frequency | 67.6 |
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| Structure | |
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| Chemical Formula | C23H29N3O8S |
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| Molecular Mass | 507.1675 |
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| SMILES | Nc1ccc(S(=O)(=O)N(CC(=O)O)CC(O)C(Cc2ccccc2)NC(=O)OC2CCOC2)cc1 |
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| InChI Key | NXTGZYLTDOBYEV-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativedialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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