| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28N2O8S |
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| Molecular Mass | 480.1566 |
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| SMILES | O=C(NC(Cc1ccccc1)C(O)CN(Cc1ccc(O)cc1)S(=O)(=O)O)OC1CCOC1 |
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| InChI Key | FQTGXKWBAAUQTP-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 | 1-hydroxy-2-unsubstituted benzenoidsamphetamines and derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoamidestetrahydrofurans |
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| Substituents | carbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoiddialkyl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativeorganic sulfuric acid or derivativestetrahydrofurancarbamic acid esteroxacycleorganic oxygen compoundsulfuric acid monoamidesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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