| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:43 UTC |
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| Update Date | 2025-03-21 18:41:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133447 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C25H33ClN2O6S |
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| Molecular Mass | 524.1748 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccccc1Cl |
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| InChI Key | VZEKKMDZFJSJHL-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 | aminosulfonyl compoundsamphetamines and derivativesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbamate esterscarbonyl compoundschlorobenzenesdialkyl ethershydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl groupetheraromatic heteromonocyclic compoundorganochlorideorganosulfur compoundorganohalogen compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesbenzenesulfonyl grouparyl chloridechlorobenzenealcoholcarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundtetrahydrofurancarbamic acid esteraryl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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