| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:14 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H34N2O7S |
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| Molecular Mass | 458.2087 |
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| SMILES | CC(C)CN(CC(O)C(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(C)(=O)=O |
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| InChI Key | GWLADWMBCFKARN-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsaminosulfonyl compoundsbenzene and substituted derivativescarbamate esterscarbonyl compoundsdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivatives1,2-diolalcoholcarbonic acid derivativeaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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