| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:00 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25NO5S |
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| Molecular Mass | 391.1453 |
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| SMILES | COc1ccc(C2(CCCN(C)C)OCc3ccc(S(=O)(=O)O)cc32)cc1 |
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| InChI Key | KGQYSAYSKNXFSA-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 heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativesdialkyl ethershydrocarbon derivativesisocoumaransmethoxybenzenesorganic oxidesorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsphenoxy compoundssulfonylstrialkylamines |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherorganosulfonic acidalkyl aryl etherorganosulfur compounddialkyl etherorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compound1-sulfo,2-unsubstituted aromatic compoundtertiary aliphatic aminemethoxybenzeneoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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