| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:48 UTC |
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| Update Date | 2025-03-25 00:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N2O6S |
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| Molecular Mass | 374.1512 |
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| SMILES | CC(=O)NC(Cc1ccc(O)cc1)C(O)CN(CC(C)C)S(=O)(=O)O |
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| InChI Key | OBXPYFAUAVMEKK-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidesamphetamines and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | alcoholcarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamidesecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundamphetamine or derivatives |
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