| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:11 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172020 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O6S |
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| Molecular Mass | 358.1199 |
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| SMILES | CC(=O)NC(Cc1ccccc1)C(O)CN(CC(=O)O)S(C)(=O)=O |
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| InChI Key | XMQMVSZUSVVGIG-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 | acetamidesalpha amino acidsaminosulfonyl compoundsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesalcoholaminosulfonyl compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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