| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:55 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O4S |
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| Molecular Mass | 214.03 |
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| SMILES | COc1cc(C(=O)S(C)=O)ccc1O |
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| InChI Key | SBJGVCUVTAOWNB-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativesbenzyl alkyl sulfoxidescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfinyl compoundssulfoxidesthiobenzoic acids and derivativesthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietyetherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfinyl compoundthiolactonethiobenzoic acid or derivativesbenzoic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativephenoxy compoundbenzyl alkyl sulfoxideorganooxygen compound |
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