| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:53 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO5S |
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| Molecular Mass | 379.1453 |
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| SMILES | COc1ccc(C(O)CN(CC(C)C)S(=O)(=O)c2ccc(O)cc2)cc1 |
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| InChI Key | JFBYABGIOBNGIG-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaminosulfonyl compoundsanisolesaromatic alcoholsbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol etherorganosulfonic acid or derivativesether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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