| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:01 UTC |
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| Update Date | 2025-03-21 17:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008498 |
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| Frequency | 576.4 |
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| Structure | |
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| Chemical Formula | C9H12O7S |
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| Molecular Mass | 264.0304 |
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| SMILES | COc1ccc(C(O)OS(=O)(=O)O)cc1OC |
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| InChI Key | ALRCIAZGSQYVMO-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 | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisolesaromatic alcoholshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl etheraromatic homomonocyclic compounddimethoxybenzeneorganic oxideorganic oxygen compoundanisoleo-dimethoxybenzenealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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