| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:04 UTC |
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| Update Date | 2025-03-21 18:05:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055206 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C22H27N3O6S |
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| Molecular Mass | 461.1621 |
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| SMILES | COc1ccc(C2NS(=O)(=O)c3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | PEIFFUZEUUSFSJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl etherorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenebeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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