| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H35N3O7S |
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| Molecular Mass | 533.2196 |
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| SMILES | O=C(NC(Cc1ccccc1)C(O)CN(Cc1ccccc1)S(=O)(=O)N1CCOCC1)OC1CCOC1 |
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| InChI Key | ACWBBKMTDCDCMP-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 | amphetamines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesmorpholinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid diamidestetrahydrofurans |
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| Substituents | carbonyl groupetheraromatic heteromonocyclic compounddialkyl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofurancarbamic acid esteroxazinaneoxacyclesulfuric acid diamidemorpholineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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