| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:03 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO5S |
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| Molecular Mass | 247.0514 |
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| SMILES | COc1cc(CCO)ccc1OS(N)(=O)=O |
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| InChI Key | KRHPYNDHDDFYKC-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 | alcohols and polyolsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesphenoxy compounds |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativetyrosol derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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