| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:26 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218531 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H30N2O8S |
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| Molecular Mass | 506.1723 |
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| SMILES | Cc1ccccc1S(=O)(=O)N(CC(=O)O)CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1 |
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| InChI Key | DSKOSWDZJXBAAK-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 | alpha amino acidsaminosulfonyl compoundsamphetamines and derivativesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alcoholstetrahydrofuranstoluenes |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativedialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl groupalcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteroxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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