| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:31 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177416 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO4S |
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| Molecular Mass | 287.1191 |
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| SMILES | COCCc1ccc(OCCN(C)S(C)(=O)=O)cc1 |
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| InChI Key | OAWJGLDLFBLYBO-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsdialkyl ethershydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetheraminosulfonyl compoundalkyl aryl etherorganosulfur compounddialkyl etherorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativetyrosol derivativeorganic nitrogen compoundphenoxy compoundorganic sulfonic acid amideorganooxygen compound |
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