| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:53 UTC |
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| Update Date | 2025-03-21 18:39:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124375 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C12H20N2O5S |
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| Molecular Mass | 304.1093 |
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| SMILES | COCCc1ccc(OCC(O)CNS(N)(=O)=O)cc1 |
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| InChI Key | QXRJKRBGWBDBAP-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 ethersdialkyl ethershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholssulfuric acid diamides |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetherorganic sulfuric acid or derivativesalkyl aryl etherdialkyl etheraromatic homomonocyclic compoundsulfuric acid diamideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativetyrosol derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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