| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:48 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6S |
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| Molecular Mass | 287.0464 |
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| SMILES | COc1cc(CC2COS(=O)(=O)NC2=O)ccc1O |
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| InChI Key | YZSPCKQPCIXZSO-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclemethoxybenzeneoxacycleorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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